Category: benzothiophene

Mersch-Sundermann, Volker published the artcileSOS induction in Escherichia coli and Salmonella mutagenicity: a comparison using 330 compounds, SDS of cas: 40180-04-9, the main research area is SOS induction Escherichia Salmonella mutagenicity.

To examine the concordance of two microbial genotoxicity short-term assays, 330 exptl. results for the SOS chromotest using tester strain Escherichia coli PQ37 were compared with the results of the Salmonella/mammalian microsome mutagenicity assay with Salmonella typhimurium TA97, TA98, TA100, TA102, TA104, TA1535, TA1537 and/or TA1538. With respect to qual. features, the concordance between SOS chromotest and Salmonella mutagenicity test results was 86.4% (sensitivity, 78.6%; specificity, 100%; χ2 = 188.6). None of the non-mutagens (N = 120) were able to induce the SOS system. Addnl., 45 of the 210 S. typhimurium mutagens (21.5%) did not induce the SOS repair system. On closer examination, the majority of these 45 compounds (84%) were mutagens with activities between 0.001 and 10 rev/nmol. Even though the exptl. protocols of both systems were not standardized, the correlation coefficient for the exptl. results of the two test systems was 0.7 for the 330 chems. Except for aliphatic epoxides (r = 0.47), the mutagenicity/SOS induction correlations for congeneric data sets (polycyclic aromatic hydrocarbons, nitroarenes, nitroarenofurans, mycotoxins) were even better (r = 0.72-0.95). Addnl., computer automated structure evaluation (CASE) analyses of the nature of the structural determinants associated with each endpoint indicate extensive homologies. The data can be taken to indicate that the two phenomena reflect common mechanisms of action.

Mutagenesis published new progress about Escherichia coli. 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

King, Adam M. published the artcileCapillary ultra performance liquid chromatography-tandem mass spectrometry analysis of tienilic acid metabolites in urine following intravenous administration to the rat, Computed Properties of 40180-04-9, the main research area is capillary UPLC MS tienilate metabolite determination urine pharmacokinetics; Bioanalysis; Capillary UPLC; DMPK; Metabolites; Tienilic acid.

Capillary scale (100 mm × 150 μm id) UPLC/MS/MS, performed using reversed-phase gradient chromatog. on sub 2μm particles, has been successfully employed for the characterization of the metabolites of the drug tienilic acid (TA) excreted via the urine following oral administration to the rat. The capillary LC system provided a significant increase (range ∼11-33-fold) in sensitivity compared with a conventional 150 mm × 2.1 mm id UPLC system. An investigation of the effect of the injection volume and sample mass loading on the capillary column on the results obtained for both endogenous metabolites and TA was performed. This demonstrated that the injection of up to 2μL of rat urine onto the system was permitted while still providing excellent chromatog. results and robustness. Qual. anal. of the urine revealed the presence of TA itself and a total of 15 metabolites of the drug, including those resulting from biotransformations such as hydroxylation or conjugation. The capillary chromatog. system was shown to be robust, and capable of providing comprehensive drug metabolite profiles from small format urine samples such as those obtained from preclin. studies in rodents.

Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences published new progress about Conjugation (bond). 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, Computed Properties of 40180-04-9.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Cao, Hao-Qiang published the artcileDirect Enamido C(sp2)-H Diphosphorylation Enabled by a PCET-Triggered Double Radical Relay: Access to gem-Bisphosphonates, SDS of cas: 1468-83-3, the main research area is amide unsaturated vinylamide oxidative phosphonylation preparation gem diphosphonate; proton coupled electron transfer enamide phosphonylation radical relay process; unsaturated gem vinylidenediphosphonate amino preparation diphosphonylation enamide silver promoted; bisphosphonates; enamides; radical relay; silver; synthetic methods.

Gem-Diphosphonates ArC(NHCOMe):C[P(O)(OR)2]2 (Ar = substituted Ph, pyridyl, pyrrolyl, thienyl, thiazolyl) were prepared by Ag2O-promoted oxidative diphosphonylation of vinylamides CH2:CArNHCOMe with hydrophosphonates HP(O)(OR)2. Herein we report a novel and straightforward protocol for the construction of valuable gem-BPs by means of proton-coupled electron-transfer (PCET)-triggered enamido C(sp2)-H diphosphorylation. This reaction represents a rare example of realizing the challenging double C-P bond formation at a single carbon atom, thus providing facile access to a broad variety of structurally diverse bisphosphonates from simple enamides under silver-mediated conditions. Initial mechanistic studies demonstrated that the diphosphorylation involves two rounds of PCET-initiated radical relay process.

Chemistry – A European Journal published new progress about C-P bond formation. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, SDS of cas: 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Snow, Ina B. published the artcileRenal sites of natriuretic and uricosuric activity of ticrynafen in the mongrel dog, Quality Control of 40180-04-9, the main research area is ticrynafen natriuresis uricosuria mechanism; resorption uric acid sodium ticrynafen.

Following establishment of steady state plasma concentrations of ticrynafen (I) [40180-04-9] in the mongrel dog, the i.v. injection of large doses of p-aminohippurate (PAH) or Na salicylate reduced or blocked the urinary excretion of I. In a similar manner, the i.v. administration of I reduced the urinary excretion of PAH in preloaded dogs. Since PAH and salicylate are actively secreted by a renal tubular organic anion transport system, these data provided evidence for an active tubular secretion of I. The natriuresis and uricosuria from the administration of I to the mongrel dog were reduced by PAH and salicylate at doses which effectively blocked the secretion of I. Apparently, in the dog, the natriuretic and uricosuric activity of I results from the presence of I in the tubular lumen.

Nephron published new progress about Resorption, animal. 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, Quality Control of 40180-04-9.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Battula, Satyanarayana published the artcileAccessing Grignard Reluctant Aldehyde in 2-Oxoaldehyde by Organocuprates to Give [1,2] Addition and Oxidative Coupling Reactions, Synthetic Route of 1468-83-3, the main research area is dione preparation; oxoaldehyde preparation Grignard reagent addition and oxidative coupling reaction; ketone hydrolysis.

Novel finding of aldehyde in 2-oxoaldehyde (2OA) is presented as it unprecedentedly disinclines to react with Grignard reagents but reacts with moderate organocuprate reagents in anaerobic condition to give [1,2] addition (α-hydroxyketones) reaction. In the presence of air, the reaction produces an efficient protocol for the synthesis of 1,2-diones through a copper-catalyzed oxidative cross-coupling reaction at room temperature Mechanistic studies indicate that α-hydroxy ketone perhaps is generated before the hydrolysis step/acid work-up process. The α-keto group of 2OA causes to exhibit this peculiar aldehyde behavior toward these organometallic reagents.

ACS Omega published new progress about Addition reaction. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Synthetic Route of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Mitsumori, Susumu published the artcileSynthesis and Biological Activity of Various Derivatives of a Novel Class of Potent, Selective, and Orally Active Prostaglandin D2 Receptor Antagonists. 2. 6,6-Dimethylbicyclo[3.1.1]heptane Derivatives, Formula: C9H10O2S, the main research area is dimethylbicycloheptane prostaglandin derivative preparation; prostaglandin D2 receptor antagonist bicycloheptane skeleton preparation; antiallergenic dimethylbicycloheptane prostaglandin derivative preparation.

Novel prostaglandin D2 (PGD2) receptor antagonists having the bicyclo[2.2.1]heptane ring system as a prostaglandin skeleton are a potent new class of antiallergic agents and suppressed various allergic inflammatory responses such as those observed in conjunctivitis and asthma models. In the present study, PGD2 receptor antagonists having the 6,6-dimethylbicyclo[3.1.1]heptane ring system were synthesized. These derivatives have the amide moiety, in contrast to those with the bicyclo[2.2.1]heptane ring system, which have the sulfonamide group. The derivatives having the 6,6-dimethylbicyclo[3.1.1]heptane ring also exhibited strong activity in PGD2 receptor binding and cAMP formation assays. In in vivo assays such as allergic rhinitis, conjunctivitis, and asthma models, these series of derivatives showed excellent pharmacol. profiles. In particular, compound I also effectively suppressed eosinophil infiltration in allergic rhinitis and asthma models. This compound (I, S-5751) is now being developed as a promising alternative antiallergic drug candidate.

Journal of Medicinal Chemistry published new progress about Allergic rhinitis. 19156-54-8 belongs to class benzothiophene, name is 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic acid, and the molecular formula is C9H10O2S, Formula: C9H10O2S.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Celebioglu, Hasan Ufuk published the artcileCytotoxic effects, carbonic anhydrase isoenzymes, α-glycosidase and acetylcholinesterase inhibitory properties, and molecular docking studies of heteroatom-containing sulfonyl hydrazone derivatives, Computed Properties of 1468-83-3, the main research area is sulfonylhydrazone antitumor carbonic anhydrase glycosidase acetylcholinesterase inhibition mol docking; Heteroatom; antibacterial; anticancer; docking; enzyme inhibition; sulfonyl hydrazone.

Today, interest in studies on the search for new drugs to be used in diseases such as cancer, cardiovascular diseases, neurodegenerative diseases and diabetes, as well as prevention of microbial inflammation is increasing day by day. Emerging biol. and pharmacol. effects of sulfonyl hydrazone derivative compounds reveal their importance. In the present study, heteroatom-containing sulfonyl hydrazone derivatives have been studied for their anticancer and antimicrobial properties, as well as their effects on enzymes that could play roles in Alzheimer′s disease and diabetes. High doses of the tested compounds significantly decreased the cell viabilities of breast cancer (MCF-7) and prostate cancer (PC-3) cell lines. Furthermore, all compounds possessed antimicrobial activities against very common bacteria E. coli and S. aureus. These compounds were good inhibitors of the α-glycosidase, human carbonic anhydrase I and II isoforms and acetylcholinesterase enzyme with Ki values in the range of 1.14 ± 0.14-3.63 ± 0.26 nM for α-glycosidase, 66.05 ± 9.21-125.45 ± 11.54 nM for hCA I, 89.14 ± 10.43-170.22 ± 26.05 nM for hCA II and 754.03 ± 73.22-943.92 ± 58.15 nM for AChE, resp. Mol. docking method was used to theor. compare biol. activities of sulfonyl hydrazone derivatives against enzymes. The theor. results were compared with the exptl. results. Thus, these compounds have strong biol. activities.

Journal of Biomolecular Structure and Dynamics published new progress about Alzheimer disease. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Computed Properties of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Secci, Daniela published the artcile4-(3-Nitrophenyl)thiazol-2-ylhydrazone derivatives as antioxidants and selective hMAO-B inhibitors: synthesis, biological activity and computational analysis, Category: benzothiophene, the main research area is nitrophenylthiazolyl hydrazone synthesis antioxidant monoamine oxidase neurodegenerative disorder; (Thiazol-2-yl)hydrazone derivatives; Alzheimer’s disease; Parkinson’s disease; antioxidants; inhibitor; molecular modelling; monoamine oxidase; selective.

A new series of 4-(3-nitrophenyl)thiazol-2-ylhydrazone derivatives were designed, synthesized, and evaluated to assess their inhibitory effect on the human monoamine oxidase (hMAO) A and B isoforms. Different (un)substituted (hetero)aromatic substituents were linked to N1 of the hydrazone in order to establish robust structure-activity relationships. The results of the biol. testing demonstrated that the presence of the hydrazothiazole nucleus bearing at C4 a Ph ring functionalised at the meta position with a nitro group represents an important pharmacophoric feature to obtain selective and reversible human MAO-B inhibition for the treatment of neurodegenerative disorders. In addition, the most potent and selective MAO-B inhibitors were evaluated in silico as potential cholinesterase (AChE/BuChE) inhibitors and in vitro for antioxidant activities. The results obtained from mol. modeling studies provided insight into the multiple interactions and structural requirements for the reported MAO inhibitory properties.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about Alzheimer disease. 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

Shiradkar, Mahendra Ramesh published the artcileA novel approach to cyclin-dependent kinase 5/p25 inhibitors: A potential treatment for Alzheimer’s disease, Product Details of C13H8Cl2O4S, the main research area is thienyl triazole derivative preparation structure cyclin dependent kinase inhibitor.

Based on the earlier results of the inhouse database and compound library, a series of novel clubbed thienyl triazoles was designed which may emerge as potential cdk5/p25 inhibitors, for the treatment of Alzheimer’s disease. A benign synthesis was planned so as to take an advantage of MAOS (Microwave Assisted Organic Synthesis) method. Evaluation of the SAR of this series has allowed the identification of compounds 4, 5, 7 and 8 from series I while 13, 14, 16 and 17 from series II as significant cdk5/p25 inhibitors and thus have potential as possible treatments for Alzheimer’s disease.

Bioorganic & Medicinal Chemistry published new progress about Alzheimer disease. 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

Cusi, Daniele published the artcileThe effect of tienilic acid on sodium(1+) and potassium(1+) transport in human red cells, HPLC of Formula: 40180-04-9, the main research area is tienilate sodium potassium erythrocyte.

The effect of tienilic acid (I) [40180-04-9] and other antihypertensive drugs with diuretic properties on Na+ and K+ transport in human red cells was investigated. I is a less efficient inhibitor of erythrocyte Na+, K+ cotransport than furosemide [54-31-9], as well as being a weaker diuretic. In addition, the thiazides and K+-sparing diuretics do not inhibit the Na+,K+-cotransport system. Under conditions in which the erythrocytes have all of their saturable Na+ and K+ transport systems blocked, the addition of I increases K+ permeability. This effect shows saturation kinetics with the increase in the internal K+ concentration and could not be blocked by specific inhibitors of K+ channels. Thus, I may affect the opening of transient or permanent K+ channels.

Molecular Pharmacology published new progress about Antihypertensives. 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, HPLC of Formula: 40180-04-9.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem