Day: November 17, 2022

Pua, Aileen published the artcileImproved detection of key odourants in Arabica coffee using gas chromatography-olfactometry in combination with low energy electron ionisation gas chromatography-quadrupole time-of-flight mass spectrometry, Application In Synthesis of 1468-83-3, the main research area is odorant Arabica coffee GC olfactometry electron ionization qTOF MS; AEDA; Coffee; GC-QTOF; Low energy EI; Volatiles.

Four Arabica coffees (Brazil, Colombia, Ethiopia, and Guatemala) yield highly variant odors, attesting to the complexities of coffee aroma that command advanced anal. tools. In this study, their volatiles were extracted using solvent-assisted flavor evaporation (SAFE) and headspace solid-phase microextraction (HS-SPME). Due to matrix complexity, some trace odorants were detected in SAFE extracts by aroma extract dilution anal. (AEDA) but remained difficult to quantify by gas chromatog.-mass spectrometry (GC-MS). This prompted the application of low energy electron ionization (EI) coupled with GC-quadrupole time-of-flight (GC-QTOF). Optimal low EI GC-QTOF parameters (EI energy: 15 eV, acquisition rate: 3 Hz) were applied to achieve improved mol. ion signal intensity and reproducibility (relative standard deviation < 10%) across five compounds, which resulted in good linearity (R2 ≥ 0.999) and lowered detection levels (e.g. 0.025 ± 0.005 ng/mL for 4-hydroxy-5-methyl-3(2H)-furanone). Therefore, this method potentially improves the measurement of trace odorants in complex matrixes by increasing specificity and sensitivity. Food Chemistry published new progress about Coffea arabica. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Application In Synthesis of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Beltran-Hortelano, Ivan published the artcileDesign and synthesis of Mannich base-type derivatives containing imidazole and benzimidazole as lead compounds for drug discovery in Chagas Disease, Quality Control of 1468-83-3, the main research area is synthesis Mannich base imidazole benzimidazole drug discovery Chagas disease; drug design treatment Chagas disease Mannich base; Benzimidazole; Chagas disease; Imidazole; Mannich bases; Neglected tropical diseases; Trypanosoma cruzi.

The protozoan parasite Trypanosoma cruzi is the causative agent of Chagas disease, the most important parasitic infection in Latin America. The only treatments currently available are nitro-derivative drugs that are characterized by high toxicity and limited efficacy. Therefore, there is an urgent need for more effective, less toxic therapeutic agents. We have previously identified the potential for Mannich base derivatives as novel inhibitors of this parasite. To further explore this family of compounds, we synthesized a panel of 69 new analogs, based on multi-parametric structure-activity relationships, which allowed optimization of both anti-parasitic activity, physicochem. parameters and ADME properties. Addnl., we optimized our in vitro screening approaches against all three developmental forms of the parasite, allowing us to discard the least effective and trypanostatic derivatives at an early stage. We ultimately identified derivative I, which demonstrated excellent trypanocidal properties, and a synergistic mode of action against trypomastigotes in combination with the reference drug benznidazole. Both its druggability and low-cost production make this derivative a promising candidate for the preclin., in vivo assays of the Chagas disease drug-discovery pipeline.

European Journal of Medicinal Chemistry published new progress about Chagas disease. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Quality Control of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Ramesh, Deepthi published the artcileFirst-in-class pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones against leishmaniasis and tuberculosis: Rationale, in vitro, ex vivo studies and mechanistic insights, Quality Control of 1468-83-3, the main research area is Pyrido pyrimidine dione leishmaniasis tuberculosis; antileishmanial antitubercular activity mol modeling; dihydrofolate reductase-thymidylate synthase complex; leishmaniasis; pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione; thymidylate kinase; tuberculosis.

Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones were synthesized, for the first time, from indole chalcones and 6-aminouracil, and their ability to inhibit leishmaniasis and tuberculosis (Tb) infections was evaluated. The in vitro antileishmanial activity against promastigotes of Leishmania donovani revealed exceptional activities of compounds 3, 12 and 13, with IC50 values ranging from 10.23 ± 1.50 to 15.58 ± 1.67 μg/mL, which is better than the IC50 value of the standard drug pentostam of 500 μg/mL. The selectivity of the compounds towards Leishmania parasites was evaluated via ex vivo studies in Swiss albino mice. The efficiency of these compounds against Tb infection was then evaluated using the in vitro anti-Tb microplate Alamar Blue assay. Five compounds, 3, 7, 8, 9 and 12, showed MIC100 values against the Mycobacterium tuberculosis H37Rv strain at 25 μg/mL, and compound 20 yielded an MIC100 value of 50 μg/mL. Mol. modeling of these compounds highlighted interactions with binding sites of dihydrofolate reductase, pteridine reductase and thymidylate kinase, thus establishing the rationale of their pharmacol. activity against both pathogens, which is consistent with the in vitro results. From the above results, it is clear that compounds 3 and 12 are promising lead candidates for Leishmania and Mycobacterium infections and may be promising for coinfections.

Archiv der Pharmazie (Weinheim, Germany) published new progress about Cell viability. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, Quality Control of 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Waal-Manning, H. J. published the artcileOne year follow-up of hyperuricemic hypertensive patients treated with tienilic acid or a diuretic with or without uric acid-lowering drugs, Product Details of C13H8Cl2O4S, the main research area is tienilate blood pressure; serum urate tienilate; liver function tienilate.

Fifty-four hypertensive, hyperuricemic patients were pair-matched for age, sex, and current therapy (diuretic, uric acid (I) [69-93-2]-lowering drug) and one member of each pair was assigned to treatment with tienilic acid (II) [40180-04-9] (188 mg/day) while the other member continued on the previous therapy; blood pressure control was equally good in the II-treated and control groups but serum I levels were lower in II-treated patients. Liver function tests changed from pretrial results in 9 patients; minor increases in alk. phosphatase occurred in 8 of these patients (4 in the II treatment group and 4 in the control group). However the 9th patient (receiving II) showed a marked increase in serum aspartate transaminase and eventually rises in alk. phosphatase and bilirubin; these values reverted to normal after stopping II.

Clinical Science published new progress about Blood pressure. 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

Randolph, W. C. published the artcileHigh-pressure liquid chromatographic analysis of ticrynafen and one of its metabolites in urine and serum, Synthetic Route of 40180-04-9, the main research area is ticrynafen blood urine chromatog.

A method is described for the extraction of ticrynafen (I) [40180-04-9], a new hypotensive agent, and its reduced metabolite from serum and urine. Drug-related material is extracted from biol. fluids with ether under strongly acidic conditions and the back-extracted into an alk. aqueous phase, which is subjected to high-pressure liquid chromatog. anal. Separations are performed on a reversed-phase column with a mobile phase consisting of phosphate buffer-acetonitrile. The method measured serum concentrations of I and its reduced metabolite as low as 1.0 and 0.4 μg/mL, resp.

Journal of Pharmaceutical Sciences 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, Synthetic Route of 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

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

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

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

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