Month: November 2022

Wang, Yutong published the artcileEffect of lipid on formation of Maillard and lipid-Maillard meaty flavor compounds in heated cysteine-xylose-methyl linoleate system, Product Details of C6H6OS, the main research area is cysteine xylose methyl linoleate lipid Maillard meaty flavor compound.

The effect of lipid level and reaction temperature and time on the heated cysteine-xylose reaction to form meaty flavors was investigated. The presence of 1% or 2% Me linoleate inhibited the formation of volatile sulfur-containing compounds and heterocyclic compounds via the Maillard reaction, that is Maillard compounds However, the former was better because of the moderate inhibition and more compounds generated from the lipid-Maillard interaction, that is lipid-Maillard compounds Partial least squares-discriminant anal. suggested the lipid-Maillard compounds were the main markers during varying dosage of Me linoleate, reaction temperature (100-140°C) and reaction time (30-180 min). Lower temperatures increased formation of the Maillard compounds (eg, 2-furfurylthiol) or lipid-Maillard compounds (eg, 2-pentylpyridine) with reaction time. However, high temperatures caused their amounts changed in a curve or irregularly due to the complications from the Maillard and lipid oxidization reactions. By comparing time-courses of the levels of cysteine and Cys-Amadori compounds, and 294 and 420 nm UV absorbance values in the reaction systems under 120°C with or without 2% Me linoleate, it was revealed that the underlying lipid effect mechanism was to initially inhibit and later attend the Maillard reaction, leading to less formation of the Maillard compounds and generation of the lipid-Maillard compounds

Flavour and Fragrance Journal published new progress about Heterocyclic compounds Role: TEM (Technical or Engineered Material Use), USES (Uses). 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Product Details of C6H6OS.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Jinno, Norimasa published the artcileContribution of cytochrome P450 and UDT-glucuronosyltransferase to the metabolism of drugs containing carboxylic acid groups: risk assessment of acylglucuronides using human hepatocytes, Product Details of C13H8Cl2O4S, the main research area is cytochrome P450 UGT inhibitor metabolism acylglucuronide risk assessment hepatocyte; (�-borneol; 1-aminobenzotriazole; UDP-glucuronosyltransferase; acylglucuronide; cytochrome P450; human hepatocyte.

1. In order to evaluate the inhibition activity of 1-aminobenzotriazole (ABT) and (-)-borneol (borneol) against cytochrome P 450 (CYP) and UDP-glucuronosyltransferase (UGT), the substrates of these metabolic enzymes were incubated with ABT and borneol in human hepatocytes. We found that 3 mM ABT and 300 μM borneol were the most suitable exptl. levels to specifically inhibit CYP and UGT. 2. Montelukast, mefenamic acid, flufenamic acid, diclofenac, tienilic acid, gemfibrozil, ibufenac and repaglinide were markedly metabolized in human hepatocytes, and the metabolism of gemfibrozil, mefenamic acid and flufenamic acid was inhibited by borneol. With regard to repaglinide, montelukast, diclofenac and tienilic acid, metabolism was inhibited by ABT. Ibufenac was partly inhibited by both inhibitors. Zomepirac, tolmetin, ibuprofen, indomethacin and levofloxacin were moderately metabolized by human hepatocytes, and the metabolism of zomepirac, ibuprofen and indomethacin was equally inhibited by both ABT and borneol. The metabolism of tolmetin was strongly inhibited by ABT, and was also inhibited weakly by borneol. Residual drugs, telmisartan, valsartan, furosemide, naproxen and probenecid were scarcely metabolized. 3. Although we attempted to predict the toxicol. risks of drugs containing carboxylic groups from the combination chem. stability and CLint via UGT, the results indicated that this combination was not sufficient and that clin. daily dose is important.

Xenobiotica published new progress about Carboxylic acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 40180-04-9 belongs to class benzothiophene, name is 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, and the molecular formula is C13H8Cl2O4S, Product Details of C13H8Cl2O4S.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Li, Jianing published the artcileVisible-Light-Driven Oxidative Cleavage of Alkenes Using Water-Soluble CdSe Quantum Dots, Related Products of benzothiophene, the main research area is cadmium selenide quantum dot preparation; alkene cadmium selenide catalyst oxidative cleavage; carbonyl compound preparation; aryl sulfide cadmium selenide catalyst photooxidation; sulfoxide preparation; CdSe; alkene oxidation; photocatalysis; quantum dots; sulfide oxidation.

The oxidative cleavage of C=C bonds is an important chem. reaction, which is a popular reaction in the photocatalytic field. However, high catalyst-loading and low turnover number (TON) are general shortcomings in reported visible-light-driven reactions. Herein, the direct oxidative cleavage of C=C bonds through water-soluble CdSe quantum dots (QDs) is described under visible-light irradiation at room temperature with high TON (up to 3.7×104). Under the same conditions, water-soluble CdSe QDs could also oxidize sulfides to sulfoxides with 51-84% yields and TONs up to 3.4×104. The key features of this photocatalytic protocol include high TONs, wide substrates scope, low catalyst loadings, simple and mild reaction conditions, and mol. O2 as the oxidant.

ChemSusChem published new progress about Aromatic compounds, sulfoxides Role: SPN (Synthetic Preparation), PREP (Preparation). 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Related Products of benzothiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Chakraborty, Gargi published the artcileDehydrogenative Synthesis of Quinolines, 2-Aminoquinolines, and Quinazolines Using Singlet Diradical Ni(II)-Catalysts, HPLC of Formula: 1468-83-3, the main research area is quinoline biomimetic synthesis; aminoquinoline biomimetic synthesis; quinazoline biomimetic synthesis; nickel complex diamine singlet diradical oxidative condensation coupling catalyst.

Simple, straightforward, and atom economic methods for the synthesis of quinolines, 2-aminoquinolines, and quinazolines via biomimetic dehydrogenative condensation/coupling reactions, catalyzed by well-defined inexpensive and easy to prepare singlet diradical Ni(II)-catalysts featuring two antiferromagnetically coupled singlet diradical diamine type ligands are described. Various polysubstituted quinolines, 2-aminoquinolines, and quinazolines were synthesized in moderate to good yields from different low-cost and readily accessible starting materials. Several control experiments were carried out to get insight into the reaction mechanism which shows that the nickel and the coordinated diamine ligands participate in a synergistic way during the dehydrogenation of alcs.

Journal of Organic Chemistry published new progress about Acetonitriles Role: RCT (Reactant), RACT (Reactant or Reagent) (phenylacetonitriles). 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, HPLC of Formula: 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Miyaji, Yoshihiro published the artcileIn vitro evaluation of the potential for drug-induced toxicity based on 35S-labeled glutathione adduct formation and daily dose, COA of Formula: C13H8Cl2O4S, the main research area is liver microsome drug toxicity glutathione.

Background: Drug-induced toxicity such as idiosyncratic drug toxicity is believed to be reduced when either reactive metabolite formation or exposure to a drug is minimized. The objective of the present study was therefore to clarify the relationship between the daily doses, the formation rates of reactive metabolite adduct with 35S-glutathione (RM-GS) and the safety profiles of compounds Results: The RM-GS formation rates for 113 test compounds were determined by incubation with human liver microsomes, and the test compounds were classified into three categories of safe, warning and withdrawn/black box warning. A total of 23 out of 28 withdrawn/black box warning drugs showed both a RM-GS formation rate of over 1 pmol/30 min/mg protein and a dose of over 100 mg. Conclusion: These results suggest that when compounds are plotted in this region, the compounds would have a relatively high idiosyncratic drug toxicity potential.

Bioanalysis published new progress about Addition compounds Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 40180-04-9 belongs to class benzothiophene, name is 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, and the molecular formula is C13H8Cl2O4S, COA of Formula: C13H8Cl2O4S.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Murayama, Norie published the artcileAssessment of multiple cytochrome P450 activities in metabolically inactivated human liver microsomes and roles of P450 2C isoforms in reaction phenotyping studies, COA of Formula: C13H8Cl2O4S, the main research area is cytochrome P450 liver microsome phenotype; celecoxib; diclofenac; omeprazole; troglitazone; warfarin.

The fraction of substrate metabolized (fm) can be used to estimate drug interactions and can be determined by comparison of the intrinsic clearances (CLint) of victim drugs obtained from inhibited and uninhibited hepatic enzymes. Com. available human liver microsomes were recently developed in which one cytochrome P 450 (P 450) isoform is selectively inactivated. These inactivated liver microsomes were used to evaluate the roles of P 450 2C isoforms in the depletion and oxidation of probe substrates. Determination of CLint with sets of control and P 450 2C9-inactivated liver microsomes yielded fm,P4502C9 values of 0.69-1.0 for celecoxib, diclofenac and warfarin. Selectively inactivated liver microsomes were thereby shown to be potentially useful for determining the in vitro fm values for major P 450 2C9 contributions to substrate oxidations R-, S- and racemic omeprazole and troglitazone oxidation activities by liver microsomes at multiple substrate concentrations were suppressed by 26-36% and 22-50%, resp., when P 450 2C19- and 2C8-inactivated liver microsomes were used in place of control liver microsomes. This study provides important information to help elucidate the different roles of P 450 isoforms in metabolite formation at different substrate concentrations The data obtained allow the fractions metabolized to be calculated for victim drugs.

Biopharmaceutics & Drug Disposition published new progress about Animal gene, CYP3A4 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 40180-04-9 belongs to class benzothiophene, name is 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, and the molecular formula is C13H8Cl2O4S, COA of Formula: C13H8Cl2O4S.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Kahma, Helina published the artcileAn automated cocktail method for in vitro assessment of direct and time-dependent inhibition of nine major cytochrome P450 enzymes – application to establishing CYP2C8 inhibitor selectivity, SDS of cas: 40180-04-9, the main research area is cocktail method time dependent cytochrome enzyme inhibitor selectivity; Cytochrome P450; Drug metabolism; Gemfibrozil 1-O-β-glucuronide; Metabolic interactions; Substrate cocktail; Time-dependent inhibition.

We developed an in vitro high-throughput cocktail assay with nine major drug-metabolizing CYP enzymes, optimized for screening of time-dependent inhibition. The method was applied to determine the selectivity of the time-dependent CYP2C8 inhibitors gemfibrozil 1-O-β-glucuronide and clopidogrel acyl-β-D-glucuronide. In vitro incubations with CYP selective probe substrates and pooled human liver microsomes were conducted in 96-well plates with automated liquid handler techniques and metabolite concentrations were measured with quant. UHPLC-MS/MS anal. After determination of inter-substrate interactions and Km values for each reaction, probe substrates were divided into cocktails I (tacrine/CYP1A2, bupropion/CYP2B6, amodiaquine/CYP2C8, tolbutamide/CYP2C9 and midazolam/CYP3A4/5) and II (coumarin/CYP2A6, S-mephenytoin/CYP2C19, dextromethorphan/CYP2D6 and astemizole/CYP2J2). Time-dependent inhibitors (furafylline/CYP1A2, selegiline/CYP2A6, clopidogrel/CYP2B6, gemfibrozil 1-O-β-glucuronide/CYP2C8, tienilic acid/CYP2C9, ticlopidine/CYP2C19, paroxetine/CYP2D6 and ritonavir/CYP3A) and direct inhibitor (terfenadine/CYP2J2) showed similar inhibition with single substrate and cocktail methods. Established time-dependent inhibitors caused IC50 fold shifts ranging from 2.2 to 30 with the cocktail method. Under time-dependent inhibition conditions, gemfibrozil 1-O-β-glucuronide was a strong (>90% inhibition) and selective (<< 20% inhibition of other CYPs) inhibitor of CYP2C8 at concentrations ranging from 60 to 300μM, while the selectivity of clopidogrel acyl-β-D-glucuronide was limited at concentrations above its IC80 for CYP2C8. The time-dependent IC50 values of these glucuronides for CYP2C8 were 8.1 and 38μM, resp. In conclusion, a reliable cocktail method including the nine most important drug-metabolizing CYP enzymes was developed, optimized and validated for detecting time-dependent inhibition. Moreover, gemfibrozil 1-O-β-glucuronide was established as a selective inhibitor of CYP2C8 for use as a diagnostic inhibitor in in vitro studies. European Journal of Pharmaceutical Sciences published new progress about Animal gene, CYP2D6 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 40180-04-9 belongs to class benzothiophene, name is 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, and the molecular formula is C13H8Cl2O4S, SDS of cas: 40180-04-9.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Yamazoe, Yasushi published the artcileConstruction of a fused grid-based template system of CYP2C9 and its application, COA of Formula: C13H8Cl2O4S, the main research area is CYP2C9 grid template system application; CYP2C9-Mediated metabolism; Fused-grid template; Inhibition and enhancement; Poor and good substrates; Simulation of ligand-interaction on template.

A ligand-accessible space in the CYP2C9 active site was reconstituted as a fused grid-based Template with the use of structural data of the ligands. CYP2C9 Template generated has been developed as an evaluation system of CYP2C9 metabolism with the introduction of the idea of Trigger-residue initiated ligand-movement and fastening. Reciprocal comparison of the data of simulation on Template with exptl. results suggested a unified way of the interaction of CYP2C9 and its ligands through the simultaneous plural-contact with Rear-wall of Template. CYP2C9 was expected to have a room for ligands between vertically standing parallel walls termed Facial-wall and Rear-wall. Both the walls were separated by a distance corresponding to 1.5-Ring (grid) diameter size, which was termed as Width-gauge. The results indicate that ligand sittings are stabilized through contacts with Facial-wall and the left-side border of Template including specific Position 29 or Left-end after Trigger-residue movement. In addition, Trigger-residue movement is suggested to force ligands to stay firmly in the active site and then initiate CYP2C9 reactions. Simulation experiments for over 500 reactions of CYP2C9 ligands supported the system established. Possible modes of enhanced catalyzes in bi-mol. bindings are also discussed.

Drug Metabolism and Pharmacokinetics published new progress about Drug metabolism. 40180-04-9 belongs to class benzothiophene, name is 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, and the molecular formula is C13H8Cl2O4S, COA of Formula: C13H8Cl2O4S.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Cai, Aijie published the artcileRegio- and Enantioselective Preparation of Chiral Allylic Sulfones Featuring Elusive Quaternary Stereocenters, Product Details of C6H6OS, the main research area is regioselective enantioselective synthesis chiral allylic sulfone palladium catalyst; allylic substitution sodium sulfinate allylic carbonate palladium catalyst enantioselective; allylic sulfones; enantioselectivity; homogeneous catalysis; palladium; regioselectivity.

We describe here the first general asym. synthesis of sterically encumbered α,α-disubstituted allylic sulfones via Pd-catalyzed allylic substitution. The design and application of a new and highly efficient phosphoramidite ligand, I, proved to be crucial, and a wide variety of challenging allylic sulfones featuring quaternary stereocenters could be obtained in good yields and with good to excellent levels of regio- and enantioselectivities under attractive process conditions. The developed methodol. employs easily accessible chem. feedstock including racemic allylic precursors and sodium sulfinates. The utility of the method is further demonstrated by the synthesis of the sesquiterpene (-)-Agelasidine A (II).

Angewandte Chemie, International Edition published new progress about Allylic substitution reaction. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Product Details of C6H6OS.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem