Category: benzothiophene

Ramesh, Deepthi published the artcileIndole chalcones: Design, synthesis, in vitro and in silico evaluation against Mycobacterium tuberculosis, Recommanded Product: 3-Acetylthiophene, the main research area is indole chalcones tuberculostatics Mycobacterium; Anti-tubercular; Cytotoxicity; H(37)Rv strain; Indole chalcones; KasA protein; Luciferase reporter mycobacteriophages (LRP); Mycobacterium tuberculosis; SARs.

Indole chalcones were designed and synthesized as a promising set of compounds against H37Rv strain of Mycobacterium tuberculosis. Within this library of compounds, (E)-1-(furan-3-yl)-3-(1H-indol-3-yl)prop-2-en-1-one (18), (E)-3-(1H-indol-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one (20) and (E)-2-((1H-indol-2-yl)methylene)cyclopentan-1-one (24) displayed high anti-tubercular activity at 50 μg/mL with MIC values of 210, 197 and 236 μM resp. The in-silico studies revealed that compound 18 exhibit binding modes similar to FAS-II inhibitors like INH or Thiolactomycin against KasA protein. Cytotoxicity assay results suggest that the compounds 18, 20 and 24 are non-cytotoxic to human megakaryocytes and murine B cells.

European Journal of Medicinal Chemistry published new progress about Homo sapiens. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Recommanded Product: 3-Acetylthiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Peitzman, Steven J. published the artcileTicrynafen and probenecid in hyperuricemic, hypertensive men, Safety of 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, the main research area is uricosuria hypertension ticrynafen probenecid; hyperuricemia ticrynafen probenecid.

In a double-blind crossover study of ticrynafen (I) and probenecid (II) [57-66-9], hypertensive, hyperuricemic men completed 12-wk courses of each drug. With a I dose of 125 mg daily, the fall in serum uric acid [69-93-2] was prompt, dramatic, and lasting; it was equal to that after II, 500 or 1000 mg daily. There was a small but significant early weight loss (diuresis) after I but no antihypertensive effect. Twelve days after resuming I for a proposed addnl. extension study 1 patient had acute, reversible bilateral ureteral obstruction, probably caused by sudden urinary uric acid precipitation

Clinical Pharmacology & Therapeutics (St. Louis, MO, United States) published new progress about Hypertension. 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, Safety of 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Varga, Janos M. published the artcileMechanism of allergic cross-reactions. I. Multispecific binding of ligands to a mouse monoclonal anti-DNP IgE antibody, Related Products of benzothiophene, the main research area is antibody drug interaction cross reaction; allergy immediate hypersensitivity antibody ligand; IgE ligand cross reaction.

A recently developed solid-phase binding assay was used to investigate the specificity of ligand binding to a mouse monoclonal anti-dinitrophenyl IgE (I). All DNP-amino acids, that were tested inhibited the binding of the radio-labeled I to DNP covalently attached to polystyrene microplates; however, the concentration for 50% inhibition varied within four orders of magnitude, DNP-L-serine being the most and DNP-L-proline the least potent inhibitor. In addition to DNP analogs, a large number of drugs and other compounds were tested for their ability to compete with DNP for the binding site of I. At the concentration used for screening, 59% of compounds had no significant inhibition; 19% inhibited the binding of I more than 50%. Several families of compounds (tetracyclines, polymyxins, phenothiazines, salicylates, and quinones) that were effective competitors were found. Within these families, changes in the functional groups attached to the family stem had major effects on the affinity of ligand binding. The occurrence frequencies of interactions of ligands with I is in good agreement with the semi-empirical model for multispecific antibody-ligand interactions.

Molecular Immunology published new progress about Antibiotics. 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, Related Products of benzothiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Gao, Min published the artcileGeneral [4 + 1] Cyclization Approach To Access 2,2-Disubstituted Tetrahydrofurans Enabled by Electrophilic Bifunctional Peroxides, Application of 3-Acetylthiophene, the main research area is electrophilic iodomethylallyl peroxide cyclization; chiral THF stereoselective preparation.

A general [4 + 1] cyclization reaction of carbonyl nucleophiles with 2-iodomethylallyl peroxides, which function as unique electrophilic oxygen synthons, for the synthesis of a broad range of 2,2-disubstituted tetrahydrofurans is achieved under operationally simple conditions. The unprecedented asym. version of such reaction is also realized via chiral auxiliary-assisted cyclization, thus providing a distinct approach to access chiral tetrahydrofurans with high diastereoselectivities. The new method can be applied to the synthesis of core structure of posaconazole drug.

Organic Letters published new progress about Cyclization. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Application of 3-Acetylthiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Mironneau, J. published the artcileEffect of tienilic acid on the electromechanical properties of vascular smooth muscles in normotensive and spontaneously hypertensive rats, Category: benzothiophene, the main research area is tienilate blood vessel contractility; hypertension vascular muscle tienilic acid.

The membrane potential and ionic currents of smooth muscle strips of the portal vein were similar in normotensive rats (WKY) and spontaneously hypertensive rats (SHR). The maximal rate of rise of isometric contractions was increased in SHR as compared with WKY rats, and the smooth muscle membrane of SHR rats was more sensitive to noradrenaline  [51-41-2], angiotensin II  [11128-99-7], and prostaglandin E1  [745-65-3]. Tienilic acid (TA) [40180-04-9] depressed both action potential and contraction amplitudes in both WKY and SHR preparations The inward Ca current was reduced, but the K current was not. Chronic administration of TA to SHR (6 mo) suppressed the increased sensitivity to noradrenaline, angiotensin II, and prostaglandin E1. TA apparently acts primarily on the plasma surface of vascular smooth muscle by reducing the inward Ca current. In this way, it may decrease both cytoplasmic Ca concentration and vascular contractility in SHR.

Journal of Cardiovascular Pharmacology published new progress about Portal vein. 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, Category: benzothiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Lewis, David F. V. published the artcileHomology modeling of human cytochromes P450 involved in xenobiotic metabolism and rationalization of substrate selectivity, COA of Formula: C13H8Cl2O4S, the main research area is cytochrome P450 xenobiotic metabolism substrate selectivity.

Mol. modeling of human cytochrome P 450 (CYP) isoforms is described, based on amino acid sequence homol. with a unique bacterial P 450 (CYP102) of known crystal structure. It is found that for the human hepatic P450s involved in the metabolism of xenobiotics, ie. CYP1A2, CYP1A6, CYP2B6, CYP2C9, CYP2C19, CYP2D6, CYP2E1 and CYP3A4, there is a satisfactory agreement between specific substrate characteristics and topog. features of the putative active sites, including complementarity with key amino acid residues in the P 450 hem environments. A combination of homol. model interactions with substrates and certain mol. properties of the compounds themselves provides a methodol. for the evaluation of potential P 450 selectivity in new chem. entities (NCEs).

Experimental and Toxicologic Pathology published new progress about Xenobiotics. 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

Surapaneni, Sekhar published the artcileAbsorption, metabolism, and excretion, in vitro pharmacology, and clinical pharmacokinetics of ozanimod, a novel sphingosine 1-phosphate receptor modulator, Recommanded Product: 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, the main research area is ozanimod sphingosine phosphate receptor modulator absorption metabolism excretion pharmacol.

Ozanimod is approved for the treatment of relapsing forms of multiple sclerosis. Absorption, metabolism, and excretion of ozanimod were investigated after a single oral dose of 1.0 mg [14C]ozanimod hydrochloride to six healthy subjects. In vitro experiments were conducted to understand the metabolic pathways and enzymes involved in the metabolism of ozanimod and its active metabolites. The total mean recovery of the administered radioactivity was ∼63%, with ∼26% and ∼37% recovered from urine and feces, resp. Based on exposure, the major circulating components were active metabolite CC112273 and inactive metabolite RP101124, which together accounted for 50% of the circulating total radioactivity exposure, whereas ozanimod accounted for 6.7% of the total radioactive exposure. Ozanimod was extensively metabolized, with 14 metabolites identified, including two major active metabolites (CC112273 and CC1084037) and one major inactive metabolite (RP101124) in circulation. Ozanimod is metabolized by three primary pathways, including aldehyde dehydrogenase and alc. dehydrogenase, cytochrome P 450 isoforms 3A4 and 1A1, and reductive metabolism by gut microflora. The primary metabolite RP101075 is further metabolized to form major active metabolite CC112273 by monoamine oxidase B, which further undergoes reduction by carbonyl reductases to form CC1084037 or CYP2C8-mediated oxidation to form RP101509. CC1084037 is oxidized rapidly to form CC112273 by aldo-keto reductase 1C1/1C2 and/or 3β- and 11β-hydroxysteroid dehydrogenase, and this reversible oxidoredn. between two active metabolites favors CC112273. The ozanimod example illustrates the need for conducting timely radiolabeled human absorption, distribution, metabolism, and excretion studies for characterization of disproportionate metabolites and assessment of exposure coverage during drug development.

Drug Metabolism & Disposition published new progress about Absorption. 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, Recommanded Product: 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Chen, Shixiong published the artcileEffects of C3 -aromatic heterocycles on 1,3,5-triaryl-2-pyrazoline sulfonium salt photoacid generators as light-emitting diode-sensitive cationic photoinitiators, Related Products of benzothiophene, the main research area is aromatic heterocycle triaryl pyrazoline sulfonium salt photoacid cationic photoinitiator.

Four 1,5-diphenyl-3-aromatic heterocyclyl-2-pyrazoline-based sulfonium salt photoacid generators (PAGs) with different aromatic heterocycles substituted on C3 atom and di-Me sulfonium group on C5 atom were synthesized. These PAGs were highly photosensitive in the 365-425 nm light-emitting diode region, and the intramol. charge transfer from the pyrazoline ring to sulfonium salts induced efficient photolysis and high ΦH+. The heterocycles as well as their substituted positions significantly influenced the energy of the S2 orbital, which was determined by the electrochem. and absorption properties of the PAGs. The raising of the S2 orbital energy enlarged the energy gap of S0-S2 and S1-S2, resulting in blue shift of the absorption spectra and increase in the quantum yield of photoacid generation (ΦH+), resp. When the energy of excited electrons was higher than that of the S2 orbital, the transition from S0 to S2 (π-π*) occurred before the C-S cleavage on S1 and the PAGs showed high ΦH+ values (0.52-0.72). The transition from S0 to S1 (π-σ*) occurred when the energy of electrons is lower than that of the S2 orbital, and the PAGs showed low ΦH+ value. The photopolymerization kinetics demonstrated that these PAGs were highly efficient cationic photoinitiators.

Journal of Polymer Science (Hoboken, NJ, United States) published new progress about Absorption. 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

Atallah, Emile published the artcileHydrothermal carbonization of spent mushroom compost waste compared against torrefaction and pyrolysis, Product Details of C6H6OS, the main research area is hydrochar cellulose spent mushroom compost waste hydrothermal carbonization pyrolysis.

The effects of operating conditions (temperature, residence time, and water contents) of hydrothermal carbonization (HTC) of spent mushroom compost (SMC) waste on the hydrochars (HCs) and liquid effluent characteristics were exptl. revised and ranked in increasing order: residence time < dilution factor < temperature HTC upgraded the energy capabilities by doubling their heating values and increasing their fixed carbon contents four times. HTC also enhanced the soil amendment characteristics of SMC feedstock in terms of increasing the adsorption polar heads concentration, enriching its calcium and heavy metals contents after a thorough inorganic contents evaluation, doubling the surface area and increasing the pore size by a factor of five. When compared against biocoal from torrefaction in another study, HCs contained less toxic oxygenated compounds and had an 11% higher HHV at lower temperature (i.e. lower energy cost). On the other hand, HCs showed higher surface area (25 m2/g at 250 °C in HTC compared to 16 m2/g at 550 °C in pyrolysis), close adsorption characteristic, and comparable energy capabilities (22.72 MJ/kg at 700 °Cs in pyrolysis compared to 20.7 MJ/kg at 250 °C in HTC) to pyrolysis at significantly lower temperature GCMS along with UV were used to verify the reviewed degradation mechanism and evaluate the effect of process parameters on this mechanism and on the composition and toxicity of the HTC liquid effluent. They showed that acetic and formic acids, ethanol, phenol, and acetaldehyde were the major compounds that had resulted from the degradation of cellulose, hemicellulose, and lignin. Their concentrations increased with temperature and residence time, but was dependent on temperature in the case of increasing the dilution factor. Nevertheless, HTC degradation enhanced the total acids-phenols concentration in the liquid effluent by 700%. Fuel Processing Technology published new progress about Adsorption. 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

Wang, Shifang published the artcileCopper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles, Category: benzothiophene, the main research area is fluoro ketoester diketonitrile preparation ring opening defluorinative alkylation; copper catalyzed defluorinative alkylation siloxydifluorocyclopropane bromo carboxylic ester amide.

In view of the importance of both fluorinated synthons and homoenolate equivalent, synthetic application of difluorocyclopropanols is desired but remains challenging due to their thermodn. instability. Herein, we use siloxydifluorocyclopropanes as difluorocyclopropanol precursors to carry out new Cu-catalyzed ring-opening defluorinative alkylation. With α-bromo carboxylic esters as coupling partners, the reaction affords γ-fluoro-δ-ketoesters via a CuI/CuII catalytic cycle. Interestingly, by the use of α-bromoamides, the ring-opening defluorinative alkylation is followed by an addnl. intramol. C-N oxidative coupling to deliver a lactam intermediate, which further undergoes defluorination, hydrolysis, ring opening, and dehydration cascade via a CuI/CuII/CuIII catalytic pathway, leading to γ,δ-diketonitriles as the final products.

Journal of Organic Chemistry published new progress about Alkylation. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Category: benzothiophene.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem