Category: 19156-54-8

Bhattarai, Deepak published the artcileVirtual Screening and Synthesis of Novel Antitubercular Agents Through Interaction-Based Pharmacophore and Molecular Docking Studies, SDS of cas: 19156-54-8, the main research area is virtual screening antitubercular pharmacophore docking.

Tuberculosis continues to become a major threat and wide spreading disease though out the world. Therefore it is required to identify the new drugs for the treatment of tuberculosis with better activity profile than the prevalent compounds In present study we have screened and modified the antitubercular compounds from com. chem. database using the interaction-based pharmacophore and mol. docking studies. In the first step different pharmacophores of cocrystal structures of enyol acyl carrier reductase (also known as InhA) proteins (2B36 and 3FNG) were generated and employed for screening of ChemDiv database. Four different pharmacophore hypothesis retrieved 3456 hits from approx. 0.67 million compounds In the second filter, these hit mols. were subjected to the mol. docking studies in 2NSD and 3FNG crystal structures. On the basis of high fit values, GScore, structural diversity and visual inspection, one hundred compounds were selected, purchased and subjected to exptl. validation for antitubercular activity against H37Rv Mycobacterium tuberculosis (MTB) strain. Three compounds showed the minimal inhibitory concentration (MIC) value at 16 μg/mL and one compound VH04 showed the value at 1 μg/mL. Then a more active amidoethylamine compound was developed by chem. modifications of the virtual hit VH04 against the MTB strain. We believe that this newly identified scaffold could be useful for the optimization of lead from hit compounds of new antitubercular agents.

Current Computer-Aided Drug Design published new progress about Drug screening. 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, SDS of cas: 19156-54-8.

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

Zhang, Ting-Yu published the artcileCopper-Catalyzed Selective ortho-C-H/N-H Annulation of Benzamides with Arynes: Synthesis of Phenanthridinone Alkaloids, Recommanded Product: 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic acid, the main research area is copper catalyst annulation benzamide aryne; phenanthridinone alkaloid preparation.

An efficient and convenient copper-catalyzed method was developed to achieve direct ortho-C-H/N-H annulation to synthesize phenanthridinones with arynes. This method highlights an emerging strategy to transform inert C-H bonds into versatile functional groups in organic synthesis and provides a new way to synthesize phenanthridinone alkaloids efficiently.

Organic Letters published new progress about Alkynes, arynes Role: RCT (Reactant), RACT (Reactant or Reagent). 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, Recommanded Product: 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic acid.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Petersen, Karina published the artcileToxicity of organic compounds from unresolved complex mixtures (UCMs) to primary fish hepatocytes, HPLC of Formula: 19156-54-8, the main research area is Oncorhynchus hepatocyte toxicity unresolved complex mixture; AhR agonist; Cytotoxicity; ER agonist; EROD; Naphthenic acids; Vitellogenin; Xenoestrogen; in vitro.

In the present study, several chems. with structures typical of those found in some UCMs, were assessed for their potential to disrupt membrane integrity, inhibit metabolic activity, activate the aryl hydrocarbon receptor (AhR), and activate the estrogen receptor (ER) in primary rainbow trout hepatocytes (Oncorhynchus mykiss). These endpoints were determined in order to screen for common toxic modes of action (MoA) in this diverse group of chems. EC50 values for cytotoxicity were obtained for 16 compounds and ranged from 77μM-24 mM, whereof aliphatic monocyclic acids, monoarom. acids, polycyclic monoarom. acids and alkylnaphthalenes were the most toxic. The observed cytotoxicity of the chems. correlated well with the hydrophobicity (LogKOW) suggesting that the toxicity was predominantly due to a non-specific MoA. Interestingly, two compounds induced the ER-mediated production of vitellogenin (Vtg) and six compounds induced the AhR-mediated Ethoxyresorufin-O-deethylase (EROD) enzymic activity to >20% of the pos. control; by doing so suggesting that they may act as ER or AhR agonists in fish. The heterogeneous group of ‘UCM compounds’ tested exhibited multiple MoA that may potentially cause adverse effects in fish. Addnl. studies to determine if these compounds may cause adverse effects in vivo at environmentally relevant concentrations, are warranted to identify if such compounds are indeed of potential environmental concern.

Aquatic Toxicology published new progress about Canned fish, rainbow trout. 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, HPLC of Formula: 19156-54-8.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem