Month: November 2022

Equilibrium Solubility Determination and Correlation of Monobenzone in Fifteen Monosolvents at a Series of Temperatures was written by Li, Rongrong;Wang, Wei;Chen, Xianlang;Chen, Hong;Bao, Huanhuan;Zhu, Yuwei;Zhao, Jia;Han, Deman. And the article was included in Journal of Chemical & Engineering Data in 2020.Safety of 4-Benzyloxyphenol The following contents are mentioned in the article:

This study reports the equilibrium solubility for monobenzone in methanol, ethanol, n-propanol, isopropanol, n-butanol, acetonitrile, Et acetate, acetone, 1,4-dioxane, cyclohexane, N,N-dimethylformamide (DMF), N-methyl-2-pyrrolidinone (NMP), n-hexane, n-octanol, and water that was determined by the isothermal method between 283.15 and 313.15 K under p = 101.1 kPa. The maximum value of monobenzone solubility was 0.6316 in mole fraction at 313.15 K dissolved in Et acetate, but the least data was achieved in water. The solubility of monobenzone increased with the rising temperature and the order followed in the 15 pure solvents was Et acetate (0.6316, 313.15 K) > 1,4-dioxane (0.4350, 313.15 K) > methanol (0.1356, 313.15 K) > acetonitrile (0.1247, 313.15 K) > (ethanol, isopropanol) > n-propanol (0.09942, 313.15 K) > n-butanol (0.08346, 313.15 K) > n-octanol (0.03546, 313.15 K) > cyclohexane (8.020×10^-3, 313.15 K) > n-hexane (3.133 x 10^-3, 313.15 K) > NMP (2.372 x 10^-4, 313.15 K) > DMF (1.145 x 10^-4, 313.15 K) > acetone (4.032 x 10^-5, 313.15 K) > water (3.019 x 10^-5, 313.15 K). There was no existence of processes such as solvation or polymorphic transformation during the entire experiment Several models covering the modified Apelblat, λh, Wilson, and non-random two-liquid models were applied to correlate and calculate monobenzone solubility data in fifteen monosolvents. Results showed that the modified Apelblat equation provided the best results with the exptl. ones. The largest relative average deviation and root-mean-square deviation were no more than ² and 1.81 x 10^-3, resp. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Safety of 4-Benzyloxyphenol).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Safety of 4-Benzyloxyphenol

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Chemical and sensory characterization of Kalecik Karasi wines produced from two different regions in Turkey using chemometrics was written by Darici, Merve;Cabaroglu, Turgut. And the article was included in Journal of Food Processing and Preservation in 2022.COA of Formula: C9H12O3 The following contents are mentioned in the article:

Kalecik Karasi (KK) is one of the important native grape varieties of Turkey used in red wine production As an extension of a previous project that profiled the sensory characteristics of KK wines from different geog. regions of Turkey, this study aimed to investigate the chem. composition and sensory properties of KK wines belonging to different vintages from two different regions (Kalecik/Ankara and Gueney/Denizli) using the chemometric technique. Identification and quantification of aroma, aroma-active compounds, and sensory evaluations were carried out by GC/MS/FID, GC-O, and Descriptive Analyses. PLSR was used for determining the correlation between chem. and sensory data. A total of 26 aroma-active compounds have been identified for both regions. Based on PLSR, red fruit attribute in wines was pos. correlated with isoamylacetate, ethyl-hexadecanoate, ethyl-4-hydroxybutanoate, and 2-phenylethyl acetate. Dried fruit attribute has shown a significant pos. correlation with ethyl-2-methyl-propanoate, ethyl-2-methylbutanoate, and ethyl-3-methylbutanoate. The cotton candy attribute was pos. correlated with 2-phenylethanol, 2-phenylethyl acetate, ethyl-4-hydroxybutanoate, and gamma-butyrolactone. This is the first study in the literature to determine the correlation between chem. and sensory data in Kalecik Karasi wines. The study determined that common aroma descriptors of KK wines include red fruit (strawberry, raspberry, and apple), dried fruit, cotton candy, flower, and spice (sweet spices and nutmeg) odors. The characterization of the wines using chemometrics is an important tool. The findings obtained may constitute a source for quality Kalecik Karasi wines in transition to the Geog. Indication system. This study involved multiple reactions and reactants, such as 4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1COA of Formula: C9H12O3).

4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.COA of Formula: C9H12O3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In vitro and in vivo genetic toxicology studies with diethylene glycol monohexyl ether was written by Ballantyne, Bryan;Vergnes, Jane S.. And the article was included in Journal of Applied Toxicology in 2001.Computed Properties of C10H22O3 The following contents are mentioned in the article:

Diethylene glycol monohexyl ether (DEGHE; CAS number 112-59-4), an industrial chem., was investigated for the potential to produce genotoxic effects using 3 in vitro and 2 in vivo tests. No mutagenic activity occurred in either the absence or the presence of metabolic activation with a Salmonella typhimurium reverse assay using strains TA98, TA100, TA1535, TA1537, and TA1538. In a Chinese hamster ovary (CHO) forward gene mutation test (HGPRT locus), there was an increase in the mutation frequencies, which were relatively small compared with the solvent control values, somewhat inconsistent between duplicate cultures, and occurred particularly in the presence of metabolic activation. Linear regression anal. indicated a marginally significant trend for dosage vs. mutation frequency, suggesting that DEGHE was weakly pos. in this test. A sister chromatid exchange test in CHO cells showed no significant dosage-related effects in the presence or absence of metabolic activation. A peripheral blood micronucleus test in mice by dosing with an i.p. injection of DEGHE did not show any potential for DEGHE to increase the incidence of micronucleated polychromatophilic erythrocytes. In a first femoral bone marrow chromosome aberration test in the rat by peroral dosing, DEGHE did not cause any increase in aberrations for 12- and 24-h samples with males and females or with females at 48-h sampling. However, with males at 48 h, the 2 lowest doses showed an increased number of aberrations, but not at the high doses. A repeat study in males with a larger number of doses and 24- and 48-h samples did not replicate this finding. Thus, DEGHE may have limited weak mutagenic activity in vitro but is devoid of clastogenic potential. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Computed Properties of C10H22O3).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Computed Properties of C10H22O3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Design, synthesis, and evaluation of “dual-site”-binding diarylpyrimidines targeting both NNIBP and the NNRTI adjacent site of the HIV-1 reverse transcriptase was written by Feng, Da;Zuo, Xiaofang;Jing, Lanlan;Chen, Chin-Ho;Olotu, Fisayo A.;Lin, Hao;Soliman, Mahmoud;De Clercq, Erik;Pannecouque, Christophe;Lee, Kuo-Hsiung;Kang, Dongwei;Liu, Xinyong;Zhan, Peng. And the article was included in European Journal of Medicinal Chemistry in 2021.HPLC of Formula: 109-85-3 The following contents are mentioned in the article:

To improve the drug-resistance profiles of HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs), a novel series of “dual-site” binding diarylpyrimidine (DAPY) derivatives I [R¹ = H, cyclopropyl, propargyl, etc.] and II [X = 1-R²-piperidin-4-yl, 1-R²-piperidin-4-ylmethyl, 1-R²-pyrrolidin-3-yl; R² = methylsulfonyl, trifluoromethylsulfonyl, trifluoromethylcarbonyl, etc.] targeting both the NNRTI adjacent site and NNRTIs binding pocket (NNIBP) were designed, synthesized and evaluated for their anti-HIV potency in TZM-bl and MT-4 cells. Eight compounds I and II exhibited moderate to excellent potencies in inhibiting wild-type (WT) HIV-1 replication with EC₅₀ values ranging from 2.45 nM to 5.36 nM, and I [R¹ = propargylamino] (EC₅₀ = 2.45 nM) proved to be the most promising inhibitor. Of note, I [R¹ = propargylamino] exhibited potent activity against the single mutant strain E138K (EC₅₀ = 10.6 nM), being comparable with ETR (EC₅₀ = 9.80 nM) and 3.5-fold more potent than that of morpholino pyrimidine compound (EC₅₀ = 37.3 nM). Moreover, I [R¹ = propargylamino] acted as a classical NNRTI with high affinity for WT HIV-1 RT (IC₅₀ = 0.0589μM). The detailed structure-activity relationships (SARs) of the representative compounds were also determined, and further supported by mol. dynamics simulation. Overall, the “dual-site”-binding NNRTIs have significant prospects and pave the way for the next round of rational design of potent anti-HIV-1 agents. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3HPLC of Formula: 109-85-3).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.HPLC of Formula: 109-85-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Effects of Surfactants on the Purple Membrane and Bacteriorhodopsin: Solubilization or Aggregation? was written by Ng, Ka Chon;Chu, Li-Kang. And the article was included in Journal of Physical Chemistry B in 2013.Name: 2-(2-(Hexyloxy)ethoxy)ethanol The following contents are mentioned in the article:

Using steady-state spectroscopic and zeta potential methods, we have unraveled the interaction of the purple membrane (PM) and bacteriorhodopsin (bR) with various surfactants below their critical micelle concentrations We found that the charged hydrophilic heads of ionic surfactants play a role in perturbing the structure and conformation of PM and bR and that ionic surfactants of opposite charges cause opposing effects. Specifically, the addition of a low concentration (0.2 mM) of the cationic surfactant cetyl trimethylammonium bromide (CTAB) is capable of neutralizing the neg. charged lipids on the PM surface via electrostatic forces. This results in increased hydrophobicity of PM that leads to the aggregation of PM. In contrast, denaturation of PM and bR was observed when the anionic surfactant SDS was added to the PM suspensions. The attachment of SDS to the PM surface increases the solubility of PM and causes a loose crystalline structure. As the SDS concentration is increased to more than 3 mM, the secondary structure of the constituents of bR is significantly distorted, and the protonated Schiff base is hydrolyzed to form free retinal. The addition of the neutral surfactant diethylene glycol mono-n-hexyl ether (C6E2) does not significantly influence the PM and bR, meaning most of their original properties are preserved. We conclude that the addition of surfactants might cause the aggregation or solubilization of the membrane protein, depending on the signs of the charged hydrophilic heads of the surfactants and the charges of the membrane protein surface. Aggregation results when the surfactant and protein have opposite charges, whereas solubilization results when the surfactant and protein have the same charge. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Name: 2-(2-(Hexyloxy)ethoxy)ethanol).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Name: 2-(2-(Hexyloxy)ethoxy)ethanol

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Bisdemethoxycurcumin alleviates vandetanib-induced cutaneous toxicity in vivo and in vitro through autophagy activation was written by Jin, Ying;Chen, Xueqin;Gao, Zizheng;Shen, Xiaofei;Fu, Huangxi;Pan, Zezheng;Yan, Hao;Yang, Bo;He, Qiaojun;Xu, Zhifei;Luo, Peihua. And the article was included in Biomedicine & Pharmacotherapy in 2021.Application of 33171-05-0 The following contents are mentioned in the article:

High incidence of cutaneous toxicity ranging from 29.2% to 71.2% has been reported during clin. use of vandetanib, which is a multi-target kinase inhibitor indicated for the treatment of unresectable medullary thyroid carcinoma. The cutaneous toxicity of vandetanib has limited its clin. benefits, but the underlying mechanisms and protective strategies are not well studied. Hence, we firstly established an in vivo model by continuously administrating vandetanib at 55 mg/kg/day to C57BL/6 for 21 days and verified that vandetanib could induce skin rash in vivo, which was consistent with the clin. study. We further cultured HaCaT and NHEK cells, the immortalized or primary human keratinocyte line, and investigated vandetanib (0-10μM, 0-24 h)-caused alteration in cellular survival and death processes. The western blot showed that the expression level of apoptotic-related protein, c-PARP, c-Caspase 3 and Bax were increased, while the anti-apoptotic protein Bcl2 and MCL1 level were decreased. Meanwhile, vandetanib downregulated mitochondrial membrane potential which in turn caused the release of Cytochrome C, excessive production of reactive oxygen species and DNA damage. Furthermore, we found that 5μM bisdemethoxycurcumin partially rescued vandetanib-induced mitochondria pathway-dependent keratinocyte apoptosis via activation of autophagy in vivo and in vitro, thereby ameliorated cutaneous toxicity. Conclusively, our study revealed the mechanisms of vandetanib-induced apoptosis in keratinocytes during the occurrence of cutaneous toxicity, and suggested bisdemethoxycurcumin as a potential protective drug. This work provided a potentially promising therapeutic strategy for the treatment of vandetanib-induced cutaneous toxicity. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Application of 33171-05-0).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Application of 33171-05-0

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Influence of lipid matrix composition on biopharmaceutical properties of lipid nanoparticles was written by Keck, Cornelia M.;Specht, David;Bruessler, Jana. And the article was included in Journal of Controlled Release in 2021.HPLC of Formula: 33171-05-0 The following contents are mentioned in the article:

Lipid nanoparticles (LN) were invented in the early 1990ties and can be exploited for oral and topical drug delivery to increase the bioavailability of lipophilic active compounds The lipid matrix of the LN can be composed of solid lipids or of a mixture of liquid and solid lipids. The influence of the lipid matrix composition of LN on the dermal penetration efficacy is not known and was therefore investigated in this study. For this the whole spectrum of LN, that means NE (100% liquid lipid), SLN (100% solid lipid) and NLC that contained low, medium and high amounts of oil were produced and characterized in regard to size, zeta potential, crystallinity and in-vitro release. In addition, the dermal penetration efficacy was determined ex-vivo and the bio-phys. skin parameters, i.e., spreadability on skin, skin hydration, skin friction and transepidermal water loss were also assessed. Results demonstrate the tremendous influence of the lipid matrix composition on the biopharmaceutical properties of the LN but showed only minor differences in the physico-chem. properties of the particles. The physico-chem. properties of the LN and the in-vitro release data were not clearly linked to the dermal penetration efficacy, because also other parameters, e.g., skin hydration, spreadability of the formulation on skin and/or film formation of the LN on skin were found to be important parameters that influence the dermal penetration efficacy. Therefore, to allow for the development of effective LN formulations with tailor-made biopharmaceutical properties, not only the physico-chem. properties and in-vitro drug release profiles but also the most relevant biopharmaceutical properties of the LN should be assessed during the formulation development of LN. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0HPLC of Formula: 33171-05-0).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.HPLC of Formula: 33171-05-0

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Antagonists for Constitutively Active Mutant Estrogen Receptors: Insights into the Roles of Antiestrogen-Core and Side-Chain was written by Sharma, Abhishek;Toy, Weiyi;Guillen, Valeria Sanabria;Sharma, Naina;Min, Jian;Carlson, Kathryn E.;Mayne, Christopher G.;Lin, Shengjia;Sabio, Michael;Greene, Geoffrey;Katzenellenbogen, Benita S.;Chandarlapaty, Sarat;Katzenellenbogen, John A.. And the article was included in ACS Chemical Biology in 2018.Reference of 103-16-2 The following contents are mentioned in the article:

A major risk for patients having estrogen receptor α (ERα)-pos. breast cancer is the recurrence of drug-resistant metastases after initial successful treatment with endocrine therapies. Recent studies have implicated a number of activating mutations in the ligand-binding domain of ERα that stabilize the agonist conformation as a prominent mechanism for this acquired resistance. There are several critical gaps in our knowledge regarding the specific pharmacophore requirements of an antagonist that could effectively inhibit all or most of the different mutant ERs. To address this, we screened various chemotypes for blocking mutant ER-mediated transcriptional signaling and identified RU58668 as a model compound that contains structural elements that support potent ligand-induced inhibition of mutant ERs. We designed and synthesized a focused library of novel antagonists and probed how small and large perturbations in different ligand structural regions influenced inhibitory activity on individual mutant ERs in breast cancer cells. Effective inhibition derives from both nonpolar and moderately polar motifs in a multifunctional side chain of the antagonists, with the nature of the ligand core making important contributions by increasing the potency of ligands possessing similar types of side chains. Some of our new antagonists potently blocked the transcriptional activity of the three most common mutant ERs (L536R, Y537S, D538G) and inhibited mutant ER-mediated cell proliferation. Supported by our mol. modeling, these studies provide new insights into the role of specific components, involving both the ligand core and multifunctional side chain, in suppressing wild-type and mutant ER-mediated transcription and breast cancer cell proliferation. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Reference of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Reference of 103-16-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

The promising novel biomarkers and candidate small molecule drugs in lower-grade glioma: Evidence from bioinformatics analysis of high-throughput data was written by Zhang, Bo;Wu, Qiong;Xu, Ran;Hu, Xinyi;Sun, Yidan;Wang, Qiuhong;Ju, Fei;Ren, Shiqi;Zhang, Chenlin;Qi, Fuwei;Ma, Qianqian;Wang, Ziheng;Zhou, You Lang. And the article was included in Journal of Cellular Biochemistry in 2019.SDS of cas: 103-16-2 The following contents are mentioned in the article:

Overall survival of patients with low-grade glioma (LGG) has shown no significant improvement over the past 30 years, with survival averaging approx. 7 years. This study aimed to identify novel promising biomarkers of LGG and reveal its potential mol. mechanisms by integrated bioinformatics anal. The microarray datasets of GSE68848 and GSE4290 were selected from GEO database for integrated anal. In total, 293 overlapping differentially expressed genes (DEGs) were detected using the limma package. One hundred and eighty-eight nodes with 603 interactions were obtained from the establishment of protein-protein interaction (PPI) network. Functional and signaling pathway enriched were significantly correlated with the synapse and calcium signaling pathway, resp. Module anal. revealed eight hub genes with high connectivity, which included CHRM1, DLG2, GABRD, GRIN1, HTR2A, KCNJ3, KCNJ9, and NUSAP1, and they were markedly correlated with patients′ prognosis. The mining of the Gene Expression Profiling Interactive Anal. database and qPCR further confirmed the abnormal expression of these key genes with their prognostic value in LGG. We eventually predicted the 20 most vital small mol. drugs, which potentially reverse the carcinogenic state of LGG, as per the CMap (connectivity map) database and these DEGs, and MS-275 (enrichment score = -0.939) was considered as the most promising small mol. to treat LGG. In conclusion, our study provided eight reliable novel mol. biomarkers for diagnosis, prognosis prediction, and treatment targets for LGG. These conclusions will contribute to a better comprehension of mol. mechanisms fundamental to LGG occurrence and progression, and providing new insights for future development of genomic individualized treatment in LGG. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2SDS of cas: 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.SDS of cas: 103-16-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability was written by Xu, Shujing;Sun, Lin;Dick, Alexej;Zalloum, Waleed A.;Huang, Tianguang;Meuser, Megan E.;Zhang, Xujie;Tao, Yucen;Cherukupalli, Srinivasulu;Ding, Dang;Ding, Xiao;Gao, Shenghua;Jiang, Xiangyi;Kang, Dongwei;De Clercq, Erik;Pannecouque, Christophe;Cocklin, Simon;Liu, Xinyong;Zhan, Peng. And the article was included in European Journal of Medicinal Chemistry in 2022.HPLC of Formula: 109-85-3 The following contents are mentioned in the article:

Further clin. development of I, a lead compound targeting HIV-1 capsid, is impeded by low antiviral activity and inferior metabolic stability. By modifying the benzene (region I) and indole of I, we identified two potent compounds II [R = propargyl, 4-NH₂Ph] with significantly improved metabolic stability. Compared to PF74, II [R = 4-NH₂Ph] displayed greater metabolic stability in human liver microsomes (HLMs) with half-life (t_1/2) 109-fold that of PF74. Moreover, mechanism of action (MOA) studies demonstrated that II [R = propargyl, 4-NH₂Ph] effectively mirrored the MOA of compounds that interact within the I interprotomer pocket, showing direct and robust interactions with recombinant CA, and 7u displaying antiviral effects in both the early and late stages of HIV-1 replication. Furthermore, MD simulation corroborated that II [R = 4-NH₂Ph] was bound to the I binding site, and the results of the online molinspiration software predicted that II [R = propargyl, 4-NH₂Ph] had desirable physicochem. properties. Unexpectedly, this series of compounds exhibited better antiviral activity than I against HIV-2, represented by compound II [R = propargyl] whose anti-HIV-2 activity was almost 5 times increased potency over I. Therefore, we have rationally redesigned the I chemotype to inhibitors with novel structures and enhanced metabolic stability in this study. We hope that these new compounds can serve as a blueprint for developing a new generation of HIV treatment regimens. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3HPLC of Formula: 109-85-3).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.HPLC of Formula: 109-85-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem