Category: benzothiophene

Mondal, Arup published the artcileCatalyst-Controlled Regiodivergent C-H Alkynylation of Thiophenes, Synthetic Route of 1468-83-3, the main research area is thiophene regiodivergent alkynylation palladium catalyst; C−H activation; alkynylation; regiodivergent; regioselectivity; thiophenes.

Alkynes are highly attractive motifs in organic synthesis due to their presence in natural products and bioactive mols. as well as their versatility in a plethora of subsequent transformations. A common procedure to insert alkynes into (hetero)arenes, such as the thiophenes studied herein, consists of a halogenation followed by a Sonogashira cross-coupling. The regioselectivity of this approach depends entirely on the halogenation step. Similarly, direct alkynylations of thiophenes were described that follow the same regioselectivity patterns. Herein the authors report the development of a palladium catalyzed C-H activation/alkynylation of thiophenes. The method is applicable to a broad range of thiophene substrates. For 3-substituted substrates where controlling the regioselectivity between the C2 and C5 position is particularly challenging, two sets of reaction conditions enable a regiodivergent reaction, giving access to each regioisomer selectively. Both protocols use the thiophene as limiting reagent and show a broad scope, rendering the authors’ method suitable for late-stage modification.

Angewandte Chemie, International Edition published new progress about Alkynylation. 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

Acharjee, Binkey published the artcileSynthesis, characterization and in vitro evaluation of 3-(4-(methylthio)phenyl)-1-(thiophene-3-yl)prop-2-en-1-one, Product Details of C6H6OS, the main research area is methylthiophenyl thiophenyl propanone chalcone reaction.

In present study, a novel 3-(4-(methylthio)phenyl)-1-(thiophene-3-yl)prop-2-en-1-one (1) was synthesized through the chalcone reaction. The FT-IR, 1H & 13C NMR and mass anal., UV-visible and fluorescent spectroscopic system were utilized to characterize the synthesized compound The charge d. data was used to explain the characteristics of mol. systems. In addition, in the form of the complete and partial d. of states, the HOMO-LUMO energy gap and electrostatic potential map, etc. and some quantum chem. insights have been obtained. Furthermore, to demonstrate the possible applications of thiophene-chalcone derivative (1) in nonlinear optics, the polarizability and first hyperpolarizability were measured. Mol. docking studies were also conducted in order to illustrate the over expression of estrogen receptor in 75% of 5J6A protein. The novel compound was tested for its anticancer and antioxidant activities of in vitro analyses. The substantial antioxidant activity was demonstrated by the newly synthesized compound 1.

Asian Journal of Chemistry published new progress about Antioxidants. 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

Lechi, A. published the artcileAn evaluation of tienilic acid, a new diuretic uricosuric agent, in the therapy of arterial hypertension, Product Details of C13H8Cl2O4S, the main research area is tienilate hydrochlorothiazide hypertension.

Tienilic acid (I) [40180-04-9] and hydrochlorothiazide (II) [58-93-5] (250 and 50 mg/day, resp.) produced similar decreases in blood pressure and similar changes in plasma or serum electrolytes, urea, creatinine, glucose, cholesterol, and triglycerides and in creatinine clearance in hypertensive patients. I caused a significant decrease in serum uric acid [69-93-2] and an increase in urate clearance, whereas II produced a small increase in serum uric acid but had no effect on urate clearance. Thus, the diuretic and antihypertensive actions of I and II are very similar; the uricosuric/hypouricemic effect of I could assume clin. relevance in long-term therapy of hypertensive patients.

Clinical Science published new progress about Blood plasma. 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

Sykes, Matthew J. published the artcilePrediction of Metabolism by Cytochrome P450 2C9: Alignment and Docking Studies of a Validated Database of Substrates, Related Products of benzothiophene, the main research area is cytochrome P450 2C9 substrate docking metabolism.

A validated database of 70 mols. known to undergo biotransformation by CYP2C9 was collated. The mol. alignment program ROCS was used with the query mol. flurbiprofen as a basis for predicting the correct active site orientation of the CYP2C9 database mols. The quality of the results obtained was excellent, with 39 of the first 44 mols. (89%) sorted by ROCS combination score having alignments that accounted for the exptl. observed site of oxidation Transposition of the first 39 correctly aligned mols. into the CYP2C9 active site yielded an average site of metabolism to iron heme distance of 5.21 A, in good agreement with previous exptl. observations. Mol. docking studies were also undertaken, but the results were less successful than the ROCS-based alignment method, indicating that ligand-based approaches with chem. typing are important in the prediction of metabolism by CYP2C9.

Journal of Medicinal Chemistry published new progress about Conformation. 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

Xu, Jun published the artcileMulticomponent Bifunctionalization Of Methyl Ketones Enabled By Heterogeneous Catalysis And Solar Photocatalysis In Water, COA of Formula: C6H6OS, the main research area is quinoxalinone derivative green preparation; ketone quinoxalinone tert butyl hypochlorite three component solar photocatalyst.

A novel and green multicomponent transformation for the α-bifunctionalization of Me ketones, quinoxalinones and tBuOCl enabled by heterogeneous catalysis and solar photocatalysis was described to afford quinoxalinone derivatives I [R1 = H, 5-Me, 6-F, etc.; R2 = Me, Bn, 2-FC6H4, et .; R3 = Me, 2-furyl, Ph, etc.]. This reaction was performed in water and under an air atm., afforded the corresponding products I in a moderate-to-good yield.

ACS Sustainable Chemistry & Engineering published new progress about Green chemistry. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, COA of Formula: C6H6OS.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Mei, Haibo published the artcileIntramolecular Appel Reaction of Trifluoromethylated β-Keto Diazos Enabling Assembly of Trifluoromethylpyrazoles, Recommanded Product: 3-Acetylthiophene, the main research area is trifluoromethylpyrazole preparation; trifluoromethylated keto diazo compound intramol Appel.

A method for the generation of trifluoromethylated β-keto diazos, and their applications in intramol. Appel type reactions was reported for the synthesis of trifluoromethylpyrazoles I [R = Ph, 2-naphthyl, 2-furyl, etc.; R1 = CF3, CF2Cl, C2F5, etc.]. The key success of this reaction was diazo species as an N-nucleophile in Appel reactions. This reaction was conducted under mild conditions and had a broad substrate scope, affording trifluoromethylpyrazoles with up to 94% yields. This protocol represented a new type of Appel reaction and also a new reaction mode of fluoro diazoalkanes.

Organic Letters published new progress about Appel reaction. 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

Lewis, David F. V. published the artcileOn the estimation of binding affinity (ΔGbind) for human P450 substrates (based on Km and KD values), Synthetic Route of 40180-04-9, the main research area is P450 binding energy method drug substrate QSAR.

A straightforward methodol., based on first principles, for the estimation of human cytochrome P 450-substrate binding energies is outlined, and the system has then been applied successfully to a relatively large dataset of P 450 substrates totaling 90 compounds The results of Quant. Structure-Activity Relationship (QSAR) anal. on the same dataset of cytochrome P 450 (CYP) substrates from the CYP1, CYP2, and CYP3 families, involving a total of 90 compounds, agree favorably with the original anal. based on first principles, thus confirming the use of average values for hydrogen bond and π-π stacking energies, together with utilizing log P values as an estimation of desolvation energies. This method is based on a linear summation of the various contributary factors to the process, including: desolvation, hydrogen bonding, π-π stacking, restricted bond rotation and other energies relating to loss in translational and rotational energy. It is found that, for the majority of P 450 substrates investigated, the first four terms are required for a relatively good estimation (R = 0.98) of the substrate binding affinity (ΔGbind) towards CYP1 and CYP2 enzymes. Consequently, it would appear that the loss in rotational and translational energy, which is thought to occur on substrate binding, apparently has little effect in most cases, possibly due to some degree of residual motion of the enzyme-substrate complex within the endoplasmic reticulum membrane. However, the appearance of a small constant term in the QSAR equation could possibly relate to an average loss in translational and rotational energy for the 90 compounds studied in this investigation.

Current Drug Metabolism published new progress about Binding energy. 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, Synthetic Route of 40180-04-9.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Stueber, Wolfgang published the artcileDetermination of ethacrynic and tienilic acid in plasma by gas-liquid chromatography-mass spectrometry, Name: 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, the main research area is ethacrynate tienilate determination blood; gas chromatog ethacrynate tienilate; mass spectrometry ethacrynate tienilate.

ethacrynic acid (I) [58-54-8] and tienilic acid (II) [40180-04-9] were extracted from plasma with (Et)2O. I and II were derivatized with pentafluorobenzyl bromide before being subjected to gas chromatog. on a column packed with 1% OV-17 on Chromosorb W, 80-100 mesh, with He as the carrier gas and the column temperature increasing from 200 to 300° at 30°/min. Using mass spectrometry in the electron-impact mode, detection of the mol. ion peak was possible for both I and II (m/e = 511 and 483, resp.). The recoveries of I and II were 94.5 and 95%, resp. Linear regression of the calibration graph gave a value of 0.998 for 0.5-1μg/mL and the limit of detection was ∼10-20 ng/mL plasma.

Journal of Chromatography, Biomedical Applications published new progress about Blood analysis. 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, Name: 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Vukusic, Ivo published the artcileQuantitative thin-layer chromatographic determination of ticrynafen in canine plasma, SDS of cas: 40180-04-9, the main research area is ticrynafen determination blood; chromatog thin layer ticrynafen blood.

After extraction from plasma with CHCl3, ticrynafen (I) [40180-04-9] was chromatographed on silica-gel K6F thin-layer-chromatog. plates with EtOAc-HOAc (95:5) as the developing solvent. I was determined with a dual-wavelength thin-layer-chromatog. scanner, using 300 nm and 400 nm as the dual wavelengths. The lowest amount of I detectable was 0.1 μg/spot (33 μg/mL), and linear responses were obtained up to 7.5 μg/spot. The relative standard deviations for plasma samples of 3.3-25.0 μg/mL ranged 3.6-13.6%. Recoveries were 75.3% at 3.3 μg/mL and 82.3% at 16.7 μg/mL. The accuracy of the assay was good, the difference between the observed and theor. concentrations for plasma samples of 1.0-7.5 μg/spot being 5.2%. The assay was used to determine I pharmacokinetics in the dog.

Journal of Chromatography, Biomedical Applications published new progress about Blood analysis. 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

Kerremans, A. L. M. published the artcilePharmacokinetic and pharmacodynamic studies of tienilic acid in healthy volunteers, Category: benzothiophene, the main research area is tienilic acid pharmacokinetics pharmacodynamics.

In 8 healthy adult volunteers the plasma and urinary levels of tienilic acid and its alc. metabolite, and plasma and urinary levels of Na, creatinine  [60-27-5] and uric acid  [69-93-2] were measured after oral administration of tienilic acid (I) [40180-04-9] 250 mg. A high-performance liquid chromatog. method was developed for the determination of I and its metabolite in plasma and urine. The pharmacokinetic parameters differed only slightly from those reported in the literature, as there was faster absorption and a shorter half-life. I was probably excreted by a saturable renal tubular transport mechanism. The pharmacodynamic effects of tienilic acid developed quickly, showing a uricosuric effect and a moderate natriuretic effect. These effects disappeared in about 8 h. An inverse relationship was found between the starting plasma uric acid level in an individual and the maximal uric acid clearance: the higher the plasma uric acid level, the lower was the maximum effect. Correlation between plasma tienilic acid level and natriuretic effect were seen within individuals and intraindividually. Urinary tienilic acid levels and natriuretic effect were also correlated but only intraindividually. No correlation between drug level and uricosuric effect was found.

European Journal of Clinical Pharmacology published new progress about Blood analysis. 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