Month: November 2022

The secoiridoid profile of virgin olive oil conditions phenolic metabolism was written by Castillo-Luna, A.;Ledesma-Escobar, C. A.;Gomez-Diaz, R.;Priego-Capote, F.. And the article was included in Food Chemistry in 2022.Computed Properties of C9H12O3 The following contents are mentioned in the article:

The European Food Safety Authority highlights the beneficial effects of olive oil phenols, mainly, secoiridoids. Nevertheless, the metabolism of secoiridoids in humans has not been fully elucidated. This research evaluated the metabolism of secoiridoids in humans after intake of olive oils with diverse phenolic profiles. For this purpose, three extra virgin olive oils (EVOOs) were ingested by six volunteers at scheduled meals, and urine samples were collected the following morning for subsequent LC-MS/MS anal. Using untargeted anal., urinary metabolites revealed representative patterns associated with the various olive oil phenolic contents in absolute and relative terms. We were able to identify metabolites obtained through phase I, phase II, and microbial metabolism with discrimination between tyrosol and hydroxytyrosol derivatives Metabolism of phenols is differentially activated as a function of the olive oil secoiridoids content, and this proof-of-concept study shows how urinary metabolites represent olive oil phenolic content. This study involved multiple reactions and reactants, such as 4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1Computed Properties of 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. 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.Computed Properties of C9H12O3

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

Anticancer pH-Responsive Supramolecular Vesicles Fabricated Using Water-Soluble Pillar[5]arene and Curcumin Derivative was written by Zhang, Wang;Yang, Jin;Li, Xusen;Chen, Tianyu;Park, Sumin;Bae, Minjun;Jung, Dayun;Lin, Liwei;Paek, Sun Ha;Piao, Yuanzhe. And the article was included in Materials & Design in 2022.Reference of 33171-05-0 The following contents are mentioned in the article:

A pH-responsive curcuminoid delivery system based on supramol. vesicles was fabricated via a novel host-guest inclusion complex between water-soluble pillar[5]arene (WP5) and hydrophobic bisdemethoxycurcumin (BDMC). This WP5 and BDMC (WP5 ⊃ BDMC) inclusion complex was studied using 1H NMR, UV-vis, and fluorescence spectroscopy. This resulting inclusion complex could self-assemble into well-defined supramol. vesicles by host-guest interactions and presented a significant pH-responsive behavior, which was investigated using dynamic laser scattering, transmission electron microscopy, and UV-vis spectroscopy. The suitable preservation time for WP5 ⊃ BDMC and the construction ratio between host/guest mols. were both of great significance for the aggregated morphol. of supramol. vesicles. Furthermore, the BDMC complexes showed good anticancer ability in vitro, as they could inhibit HepG2 cell proliferation and migration. Therefore, the curcuminoid vesicles could provide a promising platform for drug delivery or food packaging utilization. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Reference of 33171-05-0).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. 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.Reference of 33171-05-0

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

New tricks of old drugs: Repurposing non-chemo drugs and dietary phytochemicals as adjuvants in anti-tumor therapies was written by Zhang, Mei;Chen, Xianfeng;Radacsi, Norbert. And the article was included in Journal of Controlled Release in 2021.Name: Bisdemethoxycurcumin The following contents are mentioned in the article:

A review. Combination therapy has long been applied to enhance therapeutic effect and deal with the occurrence of multi-drug resistance in cancer treatment. However, the overlapping toxicity of multiple anticancer drugs to healthy tissues and increasing financial burden on patients emerged as major concerns. As promising alternatives to chemo agents, repurposed non-chemo drugs and dietary phytochems. have been investigated as adjuvants to conventional anti-tumor therapeutics, offering a safe and economic strategy for combination therapy. In this review, we aim to highlight the advances in research about combination therapy using conventional therapeutics and repurposed drugs or phytochems. for an enhanced anti-tumor efficacy, along with the mechanisms involved in the synergism. Beyond these, we outlined the potential challenges and solutions for clin. translation of the proposed combination therapy, providing a safe and affordable strategy to improve the reach of cancer therapy to low income regions with such new tricks of old drugs. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Name: Bisdemethoxycurcumin).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. 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.Name: Bisdemethoxycurcumin

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

Metal-Organic Framework-Mediated Synthesis of One-Dimensional Nitrogen-Doped Molybdenum Carbide for the Cleavage of Lignin and Dimeric Lignin Model Compounds was written by Wang, Qiuyue;Su, Tianmei;Wang, Yu;Chen, Yufang;Lu, Xinqing;Ma, Rui;Fu, Yanghe;Zhu, Weidong. And the article was included in ACS Sustainable Chemistry & Engineering in 2020.Synthetic Route of C9H12O3 The following contents are mentioned in the article:

Molybdenum carbide (Mo₂C) has emerged as a remarkable catalyst for the cleavage of the aromatic carbon-oxygen (C_aryl-O) and alkyl carbon-oxygen (C_alkyl-O) in lignin and lignin model compounds However, the selectivity for the target product, that is phenol, is unsatisfactory due to the secondary alkylation reactions of the primarily produced phenol with the organic solvent used. Here, we report that a one-dimensional nitrogen-doped Mo₂C catalyst (N-Mo₂C@C) mediated from Mo-MOF via a “pyrolysis-carbothermal reduction” process shows a remarkably high selectivity toward phenol and monophenols in the valorization of aryl ethers and lignin because of its controllable phase composition and suitable valence state. The current study provides a method to develop efficient catalysts for lignin conversion into valuable chems. Selective cleavage of the aromatic carbon-oxygen bonds in lignin and lignin dimers can be achieved over a MOF-derived one-dimensional nitrogen-doped molybdenum carbide. This study involved multiple reactions and reactants, such as 4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1Synthetic Route of C9H12O3).

4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1) belongs to ethers. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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.Synthetic Route of C9H12O3

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

Cu(I)-Catalyzed [2 + 2 + 1] Cycloaddition of Amines, Alkynes, and Ketenes: An Umpolung and Regioselective Approach to Full-Substituted β-Pyrrolinones was written by Wu, Hao;Li, Xinyao;Yan, Zixi;Ma, Nana;Song, Song;Zhang, Guisheng;Jiao, Ning. And the article was included in Organic Letters in 2021.Application of 109-85-3 The following contents are mentioned in the article:

Described here is a Cu-catalyzed [2 + 2 + 1] modular synthesis of full-substituted β-pyrrolinones I [R¹ = Bu, 2,6-dimethylphenyl, benzyl, etc.; R² = Me, Et, t-Bu, benzyl; R³ = Me, Et; E¹ = C(O)OMe, C₂F₅, CF₃] and II [E² = Me, Et; R⁴ = C(O)OMe, Ph, Me, Bn; R⁵ = 4-methoxyphenyl, 4-(methylcarbonyl)phenyl, (4-bromophenyl)methyl, 2-phenylethyl] from simple amines R¹NH₂, alkynes E¹CCC(O)OCH₃, and α-diazo-β-ketoesters R³C(O)C(=N₂)C(O)OR² or enamines E²O(O)CCH=C(R⁴)NHR⁵ with Et 2-diazo-3-oxobutanoate. This approach involving the regioselective C-nucleophilic attack of enamines, uncommon C-nucleophilic addition to ketenes, and umpolung of imines enables the direct synthesis of full-substituted β-pyrrolinones II, which were hardly constructed by traditional synthetic strategies. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Application of 109-85-3).

2-Methoxyethylamine (cas: 109-85-3) 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 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. Application of 109-85-3

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

4-Substituted Thieno[3,2-d]pyrimidines as Dual-Stage Antiplasmodial Derivatives was written by Lagardere, Prisca;Mustiere, Romain;Amanzougaghene, Nadia;Hutter, Sebastien;Franetich, Jean-Francois;Azas, Nadine;Vanelle, Patrice;Verhaeghe, Pierre;Primas, Nicolas;Mazier, Dominique;Masurier, Nicolas;Lisowski, Vincent. And the article was included in Pharmaceuticals in 2022.COA of Formula: C3H9NO The following contents are mentioned in the article:

Malaria remains one of the major health problems worldwide. The increasing resistance of Plasmodium to approved antimalarial drugs requires the development of novel antiplasmodial agents that can effectively prevent and/or treat this disease. Based on the structure of Gamhepathiopine, a 2-tert-butylaminothieno[3,2-d]pyrimidin-4(3H)-one hit, active on the sexual and asexual stages of the parasite and thanked for the introduction of various substituents at position 4 of the thienopyrimidine core e.g., I by nucleophilic aromatic substitution and pallado-catalyzed coupling reactions, a series of 4-substituted thieno[3,2-d]pyrimidines were identified as displaying in vitro activities against both the erythrocytic stage of P. falciparum and the hepatic stage of P. berghei. Among the 28 compounds evaluated, the chloro analog of Gamhepathiopine showed good activity against the erythrocytic stage of P. falciparum, moderate toxicity on HepG2, and better activity against hepatic P. berghei parasites, compared to Gamhepathiopine. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3COA of Formula: C3H9NO).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.COA of Formula: C3H9NO

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

Multidimensional in silico strategy for identification of natural polyphenols-based SARS-CoV-2 main protease (M^pro) inhibitors to unveil a hope against COVID-19 was written by Adem, Sevki;Eyupoglu, Volkan;Ibrahim, Ibrahim M.;Sarfraz, Iqra;Rasul, Azhar;Ali, Muhammad;Elfiky, Abdo A.. And the article was included in Computers in Biology and Medicine in 2022.SDS of cas: 33171-05-0 The following contents are mentioned in the article:

SARS-CoV-2, a rapidly spreading new strain of human coronavirus, has affected almost all the countries around the world. The lack of specific drugs against SARS-CoV-2 is a significant hurdle towards the successful treatment of COVID-19. Thus, there is an urgent need to boost up research for the development of effective therapeutics against COVID-19. In the current study, we investigated the efficacy of 81 medicinal plant-based bioactive compounds against SARS-CoV-2 Mpro by using various in silico techniques. The interaction affinities of polyphenolic compounds towards SARS-CoV-2 Mpro was assessed via intramol. (by Quantum Mechanic), intermol. (by Mol. Docking), and spatial (by Mol. Dynamic) simulations. Our obtained result demonstrate that Hesperidin, rutin, diosmin, and apiin are most effective compounds agents against SARS-CoV-2 Mpro as compared to Nelfinavir (pos. control). This study will hopefully pave a way for advanced exptl. research to evaluate the in vitro and in vivo efficacy of these compounds for the treatment of COVID-19. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0SDS of cas: 33171-05-0).

Bisdemethoxycurcumin (cas: 33171-05-0) 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 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. SDS of cas: 33171-05-0

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

Solvation properties of protic ionic liquids 2-methoxyethylammonium nitrate, propylammonium hydrogen sulfate, and butylammonium hydrogen sulfate was written by Sedov, Igor A.;Magsumov, Timur I.. And the article was included in Journal of Chemical Thermodynamics in 2022.Safety of 2-Methoxyethylamine The following contents are mentioned in the article:

Solvation properties of protic ionic liquids (PILs) are virtually unexplored. We measured the limiting activity coefficients of several hydrocarbons and aliphatic alcs. in 2-methoxyethylammonium nitrate (2MEAN), propylammonium hydrogen sulfate (PAHS), and butylammonium hydrogen sulfate (BAHS) at 298 K. Comparison with the previously obtained results for other substituted ammonium PILs reveals the sensitivity of solvation properties to the changes in the structure of both cation and anion which also affect the nanostructure of the bulk phase. It was shown that hydrocarbons are less soluble in 2MEAN than in alkylammonium nitrates due to destabilizing effect of the methoxy group on apolar domains in the liquid structure preferentially solvating hydrocarbon mols. The solubility of hydrocarbons is also lower in hydrogen sulfate ILs than in nitrate ILs with the same alkylammonium cation. This can be explained by the presence of the acidic hydrogen in anion which strengthens the hydrogen bonds network and the solvophobic effects in the liquid This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Safety of 2-Methoxyethylamine).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. 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.Safety of 2-Methoxyethylamine

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

Synthesis and Investigation of Chiral Poly(2,4-disubstituted-2-oxazoline)-Based Triblock Copolymers, Their Self-Assembly, and Formulation with Chiral and Achiral Drugs was written by Yang, Mengshi;Haider, Malik Salman;Forster, Stefan;Hu, Chen;Luxenhofer, Robert. And the article was included in Macromolecules (Washington, DC, United States).Product Details of 33171-05-0 The following contents are mentioned in the article:

Considering the largely chiral nature of biol. systems, there is interest in chiral drug delivery systems. Here, we investigate for the first time polymer micelles based on poly(2-oxazoline)s (POx) ABA-type triblock copolymers with chiral and racemic hydrophobic blocks for the formulation of chiral and achiral drugs. Specifically, poly(2-ethyl-4-ethyl-2-oxazoline) (pEtEtOx) and poly(2-propyl-4-methyl-2-oxazoline) (pPrMeOx) were used as hydrophobic block B and poly(2-methyl-2-oxazoline) (pMeOx) as hydrophilic block A. Using these triblock copolymers, nanoformulations of curcumin (CUR), paclitaxel (PTX) as well as chiral (R and S) and racemic ibuprofen were prepared For CUR and PTX, the maximum drug loading dependent significantly on the structure of the hydrophobic repeat units, but not the chirality. In contrast, the maximum drug loading with chiral/racemic ibuprofen was neither affected by the polymer structure nor by chirality, but minor effects were observed with respect to the size and size distribution of the drug loaded micelles. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Product Details of 33171-05-0).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Product Details of 33171-05-0

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

Methanolysis Fractionation and Catalytic Conversion of Poplar Wood toward Methyl Levulinate, Phenolics, and Glucose was written by Zhai, Qiaolong;Hse, Chung-yun;Long, Feng;Shupe, Todd F.;Wang, Fei;Jiang, Jianchun;Xu, Junming. And the article was included in Journal of Agricultural and Food Chemistry in 2019.Synthetic Route of C9H12O3 The following contents are mentioned in the article:

In the present study, methanolysis of poplar biomass was conducted for the selective transformation of hemicellulose and lignin, which leads to Me glycosides (mainly C5 glycosides) and lignin fragments in the liquefied products that can be separated according to their difference in hydrophilicity. The distribution of Me glycosides and delignification was dependent on the presence of acid catalysts and reaction temperatures The obtained lignin fraction was separated into solid lignin fragments and liquid lignin oil according to their mol. weight distribution. Subsequently, directional conversion of Me C5 glycosides into Me levulinate was performed with dimethoxymethane/methanol as the cosolvent. A yield of 12-30% of Me levulinate yield (based on the Me glycoside) was achieved under these conditions. The remaining cellulose-rich substrate showed enhanced susceptibility to enzymic hydrolysis, resulting in a yield of glucose of above 70%. Overall, the described strategy shows practical implications for the effective valorization of biomass. This study involved multiple reactions and reactants, such as 4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1Synthetic Route of 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. 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.Synthetic Route of C9H12O3

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