Tag: M.W=100-150

Favalli, Nicholas published the artcileLarge screening of DNA-compatible reaction conditions for Suzuki and Sonogashira cross-coupling reactions and for reverse amide bond formation, Safety of (2-Methoxyphenyl)methanamine, the publication is Bioorganic & Medicinal Chemistry (2021), 116206, database is CAplus and MEDLINE.

Progress in DNA-encoded chem. library synthesis and screening crucially relies on the availability of DNA-compatible reactions, which proceed with high yields and excellent purity for a large number of possible building blocks. In the past, exptl. conditions have been presented for the execution of Suzuki and Sonogashira cross-coupling reactions on-DNA. In this article, our aim was to optimize Suzuki and Sonogashira reactions, comparing our results to previously published procedures. We have tested the performance of improved conditions using 606 building blocks (including boronic acids, pinacol boranes and terminal alkynes), achieving >70% conversion for 84% of the tested mols. Moreover, we describe efficient exptl. conditions for the on-DNA synthesis of amide bonds, starting from DNA derivatives carrying a carboxylic acid moiety and 300 primary, secondary and aromatic amines, as amide bonds are frequently found in DNA-encoded chem. libraries thanks to their excellent DNA compatibility.

Bioorganic & Medicinal Chemistry published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C8H11NO, Safety of (2-Methoxyphenyl)methanamine.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Lim, Su-Jin published the artcileTraceless Solid-Phase Synthesis of 7-Aminothiazolo[4,5-d]pyrimidine-Based Library via Dimroth Rearrangement, Synthetic Route of 6850-57-3, the publication is Journal of Organic Chemistry (2021), 86(18), 12517-12527, database is CAplus and MEDLINE.

In this work, a novel protocol for the synthesis of 7-aminothiazolo[4,5,-d]pyrimidine scaffold libraries on solid support was developed using a traceless linker. Dimroth rearrangement afforded the desired intermediate with a fused heterocyclic thiazolo[4,5,-d]pyrimidine core skeleton. To diversify the synthesized library, three types of building blocks were introduced to the resin-bound thiazolo[4,5,-d]pyrimidine through N-acylation, N-alkylation, and nucleophilic substitution with amines, during cleavage from the resin. The synthesized compounds were produced in seven steps, with overall yields of 11-48%. Addnl., physicochem. properties, as well as drug-likeness of the library were calculated

Journal of Organic Chemistry published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C8H11NO, Synthetic Route of 6850-57-3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Tollefson, Michael B. published the artcile1-(2-(2,2,2-Trifluoroethoxy)ethyl-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors, COA of Formula: C4H7F3O2, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(10), 3125-3128, database is CAplus and MEDLINE.

1H-Pyrazolo[4,3-d]pyrimidines were previously disclosed as a potent second generation class of phosphodiesterase 5 (PDE5) inhibitors. This work explores the advancement of more selective and potent PDE5 inhibitors resulting from the substitution of 2-(2,2,2-trifluoroethoxy)ethyl at the 1 position in the so-called alkoxy pocket.

Bioorganic & Medicinal Chemistry Letters published new progress about 2358-54-5. 2358-54-5 belongs to ethers-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-(2,2,2-Trifluoroethoxy)ethanol, and the molecular formula is C19H21N3O, COA of Formula: C4H7F3O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Hartz, Richard A. published the artcileSynthesis, Structure-Activity Relationships, and In Vivo Evaluation of N³-Phenylpyrazinones as Novel Corticotropin-Releasing Factor-1 (CRF₁) Receptor Antagonists, Product Details of C4H12ClNO, the publication is Journal of Medicinal Chemistry (2009), 52(14), 4173-4191, database is CAplus and MEDLINE.

Evidence suggested that corticotropin-releasing factor-1 (CRF₁) receptor antagonists may offer therapeutic potential for the treatment of diseases associated with elevated levels of CRF such as anxiety and depression. A pyrazinone-based chemotype of CRF₁ receptor antagonists was discovered. Structure-activity relationship studies led to the identification of numerous potent analogs including I, a highly potent and selective CRF₁ receptor antagonist with an IC₅₀ value of 0.26 nM. The pharmacokinetic properties of I were assessed in rats and Cynomolgus monkeys. Compound I was efficacious in the defensive withdrawal test (an animal model of anxiety) in rats. The synthesis, structure-activity relationships and in vivo properties of compounds, e.g., I, within the pyrazinone chemotype were described.

Journal of Medicinal Chemistry published new progress about 1162054-86-5. 1162054-86-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic Chain, name is (S)-1-Methoxypropan-2-amine hydrochloride, and the molecular formula is C4H12ClNO, Product Details of C4H12ClNO.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Sun, Jufeng published the artcileTargeting the S100A2-p53 Interaction with a Series of 3,5-Bis(trifluoromethyl)benzenesulfonamides: Synthesis and Cytotoxicity, COA of Formula: C8H11NO, the publication is ChemMedChem (2021), 16(18), 2851-2863, database is CAplus and MEDLINE.

In silico approaches identified N-(6-((4-bromobenzyl)amino)hexyl)-3,5-bis(trifluoromethyl)benzenesulfonamide I [X = (CH₂)₄; R¹ = 4-BrC₆H₄; R² = H] as a potential inhibitor of the S100A2-p53 protein-protein interaction, a validated pancreatic cancer drug target. Subsequent cytotoxicity screening revealed it to be a 2.97μM cell growth inhibitor of the MiaPaCa-2 pancreatic cell line. This is in keeping with the hypothesis that inhibiting this interaction would have an anti-pancreatic cancer effect with S100A2, the validated PC drug target. A combination of focused library synthesis [24 compounds I (X = nothing, CH₂, CH₂CH₂; R¹ = 4-BrC₆H₄, 3,4-Cl₂C₆H₃, 1-naphthyl, etc.; R² = H, Me)] and cytotoxicity screening identified a Pr alkyl diamine spacer as optimal; the nature of the terminal Ph substituent had limited impact on observed cytotoxicity, whereas N-methylation was detrimental to activity. In total 15 human cancer cell lines were examined, with most analogs showing broad-spectrum activity. Near uniform activity was observed against a panel of six pancreatic cancer cell lines: MiaPaCa-2, BxPC-3, AsPC-1, Capan-2, HPAC and PANC-1. In all cases there was good to excellent correlation between the predicted docking pose in the S100A2-p53 binding groove and the observed cytotoxicity, especially in the pancreatic cancer cell line with high endogenous S100A2 expression. This supports S100A2 as a pancreatic cancer drug target.

ChemMedChem published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C9H20Cl2Si, COA of Formula: C8H11NO.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Ebrahimi, Seyyed Mohammad published the artcileSynthesis of 2,5-dihydro-3-furans using nano-CoAl₂O₄, Computed Properties of 6850-57-3, the publication is Research on Chemical Intermediates (2021), 47(8), 3189-3199, database is CAplus.

Nano-CoAl₂O₄ has been used as an efficient catalyst for the preparation of 5-oxo-2,5-dihydro-3 furancarboxylates by multi-component reaction of phenylglyoxal, di-Me acetylenedicarboxylate and primary amines. The best results were obtained in the presence of 4 mg of nano-CoAl₂O₄ in CH₂Cl₂ at room temperature Exptl. simplicity, wide range of products, great yields in concise times, the retrievable of the nanocatalyst and low catalyst loading are some of the substantial features of this method.

Research on Chemical Intermediates published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C8H11NO, Computed Properties of 6850-57-3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Ethers feature bent C–O–C linkages. In dimethyl ether, the bond angle is 111° and C–O distances are 141 pm. 111-90-0, formula is C6H14O3, Name is Diethylene Glycol Monoethyl Ether. The barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3. Product Details of C6H14O3.

Zhang, Yan;Wang, Huile;Zhao, Huifang;Liu, Zhong;Huang, Jingjun;Yang, Yujie;Chen, Yu research published 《 Characterization of liquefied products from corn stalk in the presence of polyhydric alcohols with acid catalysis》, the research content is summarized as follows. Atm. liquefaction technol. has been used widely and is an effective way of biomass component utilization. In this paper, the liquefied products obtained from corn stalk using polyhydric alcs. 1,2-propanediol (PG) mixed diethylene glycol (DEG) through acid catalysis under atm. pressure were characterized by various anal. technologies. The results indicated that 39 kinds of organic compounds were present in bio-oil, among which alcs. were the most, phenols were the second, and their relative contents were 70.7% and 25.6%, resp. There were also some organic acids, ethers, esters, and ketones. More than 80% of these compounds had a carbon number less than 25. Carbon NMR spectra (13C-NMR) showed that different chem. shifts δ (ppm) corresponded to various carbon types. The chem. composition of the residue from liquefaction was complex and contained a certain amount of large mol. substances that were difficult to degrade. It required more severe pyrolysis conditions than those of corn stalk. Results from X-Ray Diffraction (XRD) indicated the destruction of crystalline structure of carbohydrates and the cellulose mols. were cracked, indicating that the cellulose was degraded and the degree of liquefaction was high.

Product Details of C6H14O3, Diethylene glycol monoethyl ether appears as a colorless, slightly viscous liquid with a mild pleasant odor. Flash point near 190°F. Used to make soaps, dyes, and other chemicals.
Diethylene glycol monoethyl ether is a primary alcohol that is ethanol substituted by a 2-ethoxyethoxy group at position 2. It has a role as a protic solvent. It is a diether, a primary alcohol and a hydroxypolyether. It derives from a diethylene glycol., 111-90-0.

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

Ethers feature bent C–O–C linkages. In dimethyl ether, the bond angle is 111° and C–O distances are 141 pm. 111-90-0, formula is C6H14O3, Name is Diethylene Glycol Monoethyl Ether. The barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3. Recommanded Product: Diethylene Glycol Monoethyl Ether.

Zafar, Ameeduzzafar;Yasir, Mohd;Alruwaili, Nabil K.;Imam, Syed Sarim;Alsaidan, Omar Awad;Alshehri, Sultan;Ghoneim, Mohammed M.;Alquraini, Ali;Rawaf, Alenazy;Ansari, Mohammad Javed;Sara, Udai Vir Singh research published 《 Formulation of Self-Nanoemulsifying Drug Delivery System of Cephalexin: Physiochemical Characterization and Antibacterial Evaluation》, the research content is summarized as follows. A cephalexin (CEP) self-nanoemulsifying drug delivery system (SNEDDS) was developed in this study to improve the drug’s oral administration. The CEP-SNEDDS was made utilizing an aqueous titration method employing Lauroglycol 90, Poloxamer 188, and Transcutol-HP. Box-Behnken design (BBD) with three factors at three levels was used for optimization, and their impacts on globule size (nm), transmittance (percent), and emulsification time (s) were assessed. The optimized formulation (Opt-F3) was further tested for zeta potential, refractive index, percent transmittance, thermodn. stability, in-vitro release, ex vivo permeability, antibacterial activity, and bioavailability. The chosen formulation (Opt-F3) had a globule size of 87.25 ± 3.16 nm, PDI of 0.25, zeta potential of -24.37 mV, self-emulsification duration of 52 ± 1.7 s, and percentage transmittance of 99.13 ± 1.5%, viscosity of 96.26 ± 2.72 cp, and refractive index of 1.29 ± 0.1. It showed a sustained release profile (94.28 ± 5.92 percent in 24 h). The Opt-F3 formulation had 3.95 times the permeability of CEP-dispersion. In comparison to CEP-dispersion, it also demonstrated greater antibacterial efficacy against tested Gram-pos. and Gram-neg. pathogens. The oral bioavailability of Opt-F3 is 3.48 times higher than that of CEP-dispersion, according to an in-vivo investigation. It has been determined that the prepared CEP-SNEDDS may be an advantageous carrier for CEP delivery.

Recommanded Product: Diethylene Glycol Monoethyl Ether, Diethylene glycol monoethyl ether appears as a colorless, slightly viscous liquid with a mild pleasant odor. Flash point near 190°F. Used to make soaps, dyes, and other chemicals.
Diethylene glycol monoethyl ether is a primary alcohol that is ethanol substituted by a 2-ethoxyethoxy group at position 2. It has a role as a protic solvent. It is a diether, a primary alcohol and a hydroxypolyether. It derives from a diethylene glycol., 111-90-0.

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

Ethers lack the hydroxyl groups of alcohols. Without the strongly polarized O―H bond, ether molecules cannot engage in hydrogen bonding with each other. 111-90-0, formula is C6H14O3, Name is Diethylene Glycol Monoethyl Ether. Ethers do have nonbonding electron pairs on their oxygen atoms, however, and they can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. SDS of cas: 111-90-0.

Zarghampour, Aynaz;Moradi, Milad;Rahimpour, Elaheh;Martinez, Fleming;Zhao, Hongkun;Jouyban, Abolghasem research published 《 Solubility study of lamotrigine in the aqueous mixture of choline chloride based deep eutectic solvent at different temperatures》, the research content is summarized as follows. Solubility and thermodn. properties of lamotrigine as a practically insoluble drug in binary mixtures of choline chloride / propylene glycol deep eutectic solvent and water are determined by shake-flask method followed by a spectrophotometric method at the temperature range of 293.2-313.2 K. The acquired molar data are correlated to the linear and non-linear solubility models including van’t Hoff, the mixture response surface, the Jouyban-Acree, the Jouyban-Acree-van’t Hoff, the modified Wilson and the λh equations. The accuracy of each model is tested by the mean relative deviation of the back-calculated solubility data. Moreover, the apparent thermodn. properties of lamotrigine dissolution are also calculated based on the van’t Hoff and Gibbs equations.

111-90-0, Diethylene glycol monoethyl ether appears as a colorless, slightly viscous liquid with a mild pleasant odor. Flash point near 190°F. Used to make soaps, dyes, and other chemicals.
Diethylene glycol monoethyl ether is a primary alcohol that is ethanol substituted by a 2-ethoxyethoxy group at position 2. It has a role as a protic solvent. It is a diether, a primary alcohol and a hydroxypolyether. It derives from a diethylene glycol., SDS of cas: 111-90-0

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

Ethers are a class of organic compounds that contain an ether group—an oxygen atom connected to two alkyl or aryl groups. 111-90-0, formula is C6H14O3, Name is Diethylene Glycol Monoethyl Ether.They have the general formula R–O–R′, where R and R′ represent the alkyl or aryl groups. Computed Properties of 111-90-0.

Zeng, Jia;Xie, Tan-Fang;Huang, Ting;Li, Fang;Wang, Zhi-Ping;Feng, Ling-Lin research published 《 Preparation and In Vitro and In Vivo Evaluation of a Testosterone Film Forming Gel for the Treatment of Hypoactive Sexual Desire Disorder in Women》, the research content is summarized as follows. Hypoactive sexual desire disorder (HSDD) is one of the most common sexual complaints in women. Currently, there is an unmet need for a drug treatment for this disorder. The purpose of this study was to develop a testosterone (TS) film forming gel used for women to treat HSDD by measuring the tackiness, peel adhesion force, tensile strength, and elasticity of the formulation. Diethylene glycol monoethyl ether (Transcutol P), an efficient penetration enhancer, was added to the optimized formulation and the transdermal permeation characteristics in vitro were studied using Franz-diffusion cells. The quant. determination of TS was performed by high-performance liquid chromatog. (HPLC). After 24 h, Transcutol P at 3% had the largest cumulative amount of drug and enhancement ratio of TS of 75.14μg/cm2 and 2.82, resp. After the screening of film forming polymers and penetration enhancers, the optimal formulation was as follows: glycerol (1%, weight/weight); 12.5% sodium CM-cellulose (CMC-Na) aqueous solution (0.5%, weight/weight); 2.5% Carbomer ethanol solution (0.5%, weight/weight); Transcutol P ethanol solution (3%, weight/weight) containing 0.5% TS; and 8% Poly vinyl alc. (PVA) aqueous solution (30%, weight/weight). The optimized film forming gel had good uniformity and the release of TS in vitro was close to 100% within 24 h. In vivo studies showed the formulations had optimal area under blood drug concentration curve values in the order of 3% Transcutol P > 1% Transcutol P > 5% Transcutol P > control preparation The formulation with 3% Transcutol P provided the highest permeation effect both in vitro and in vivo. The safety of this formulation was further evaluated with a skin irritation test. It could effectively improve the rabbit skin irritation observed with a marketed transdermal patch Androderm. The present study provides a promising approach for the development of a novel TS film forming gel for the treatment of HSDD in women.

Computed Properties of 111-90-0, Diethylene glycol monoethyl ether appears as a colorless, slightly viscous liquid with a mild pleasant odor. Flash point near 190°F. Used to make soaps, dyes, and other chemicals.
Diethylene glycol monoethyl ether is a primary alcohol that is ethanol substituted by a 2-ethoxyethoxy group at position 2. It has a role as a protic solvent. It is a diether, a primary alcohol and a hydroxypolyether. It derives from a diethylene glycol., 111-90-0.

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