Day: November 18, 2022

Zakidou, Panagiota published the artcileSingle Origin Coffee Aroma: From Optimized Flavor Protocols and Coffee Customization to Instrumental Volatile Characterization and Chemometrics, HPLC of Formula: 1468-83-3, the main research area is coffee aroma flavor instrumental volatile characterization chemometrics; GC-MS; HCA; HS-SPME; Heatmap; Maillard reaction; PCA; chemometrics; coffee cupping; flavor; geographical origin.

In this study, the aroma profile of 10 single origin Arabica coffees originating from eight different growing locations, from Central America to Indonesia, was analyzed using Headspace SPME-GC-MS as the anal. method. Their roasting was performed under temperature-time conditions, customized for each sample to reach specific sensory brew characteristics in an attempt to underline the customization of roast profiles and implementation of sep. roastings followed by subsequent blending as a means to tailor cup quality. A total of 138 volatile compounds were identified in all coffee samples, mainly furan (∼24-41%) and pyrazine (∼25-39%) derivatives, many of which are recognized as coffee key odorants, while the main formation mechanism was the Maillard reaction. Volatile compounds’ composition data were also chemometrically processed using the HCA Heatmap, PCA and HCA aiming to explore if they meet the expected aroma quality attributes and if they can be an indicator of coffee origin. The desired brew characteristics of the samples were satisfactorily captured from the volatile compounds formed, contributing to the aroma potential of each sample. Furthermore, the volatile compounds presented a strong variation with the applied roasting conditions, meaning lighter roasted samples were efficiently differentiated from darker roasted samples, while roasting degree exceeded the geog. origin of the coffee. The coffee samples were distinguished into two groups, with the first two PCs accounting for 73.66% of the total variation, attributed mainly to the presence of higher quantities of furans and pyrazines, as well as to other chem. classes (e.g., dihydrofuranone and phenol derivatives), while HCA confirmed the above results rendering roasting conditions as the underlying criterion for differentiation.

Molecules published new progress about Acidity. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, HPLC of Formula: 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Minor, Steve published the artcileThe effects of ticrynafen in the rat, Category: benzothiophene, the main research area is ticrynafen diuresis uricosuria.

The i.v. infusion of ticrynafen (I) [40180-04-9] (50 mg/kg/h) in rats had no effect on glomerular filtration rate, but increased the urine flow from 4.4 μL/min/g kidney to 19.2; urinary Na excretion increased from 0.14 μEq/min/g kidney to 2.35 and urate [69-93-2] excretion from 2.8 μg/min/g kidney to 4.0. There was no change in the urinary phosphate excretion. In awake animals, I administration decreased the free water clearance from 6.47 to 3.50, but no change in free water reabsorption was observed Thus, I is a uricosuric and diuretic agent in the rat. The natriuresis appears to derive from an inhibitory action of this agent in the cortical diluting segment of the nephron. In comparison to a related uricosuric diuretic, MK-196, I is less potent with respect to both its uricosuric and diuretic properties in the rat.

Research Communications in Chemical Pathology and Pharmacology published new progress about Diuresis. 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

Koechel, Daniel A. published the artcileAcute effects of alkylating agents on canine renal function and ultrastructure: high-dose ethacrynic acid vs. dihydroethacrynic acid and ticrynafen, Category: benzothiophene, the main research area is kidney function ultrastructure ethacrynate derivative.

The renal effects of 2 relatively high doses of ethacrynic acid (EA) [58-54-8] (i.e., 66 and 151 μmol/kg i.v.) and an equivalent high dose (i.e., 151 μmol/kg) of 2 nonalkylating derivatives of EA dihydroethacrynic acid (EA-H2) [5378-94-9] and, ticrynafen  [40180-04-9] were studied in dogs. Both doses of EA produced a profound diuresis of similar magnitude. However, only the larger dose was associated with a concomitant reduction in the glomerular filtration rate, a downward trend in the renal blood flow, a proteinuric response in 4 of the 7 dogs in the treatment group, and a reproducible vacuolation of the initial portion of the proximal convoluted tubules (i.e., the S1 cells). EA-H2 induced a small, transient increase in the excretion rates of Na, Cl, and K, but failed to elicit a proteinuric response or alter proximal tubular ultrastructure. Ticrynafen, a far more efficacious diuretic agent than EA-H2, likewise failed to trigger a proteinuric response or changes in renal ultrastructure. The combination of acidic (anionic) and alkylating properties of EA is thought to be responsible for the proximal tubular effects observed in this study.

Journal of Pharmacology and Experimental Therapeutics published new progress about Diuresis. 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

Dan, Takashi published the artcileA selective uricosuric action of AA-193 in rats: comparison with its effect on PAH secretion in vivo and in vitro, Quality Control of 40180-04-9, the main research area is AA193 kidney urate diuresis PAH.

The uricosuric action of AA-193 was compared with the effect on PAH secretion in rats. I.v. administration of AA-193 elevated the fractional excretion of urate (FEu4ate) in a dose-dependent manner at doses 0.1-10 mg/kg. Only at the highest dose caused a momentary decrease in FEPAH. Tienilic acid and probenecid reduced FEPAH at uricosuric EDs. To compare the inhibitory effects of uricosurics on urate reabsorption and PAH secretion more directly, the effects of uricosurics on the OH- gradient-dependent urate uptake were studied in brush-border membrane vesicles and the net PAH accumulation in cortical renal slices. The relation between the affinity of uricosuric drug for urate and PAH transporters corresponded well with the difference between the effects on FEurate and FEPAH. The relative affinity of AA-193 for the urate uptake was 83-fold greater than that for the PAH accumulation. In contrast with other uricosurics, AA-193 has a much higher affinity for urate reabsorption system than for the common pathway of weak organic acids in rats.

Naunyn-Schmiedeberg’s Archives of Pharmacology published new progress about Diuresis. 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

Dan, Takashi published the artcileMechanism of uricosuric action of AA-193 in DBA/2N mice, Recommanded Product: 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, the main research area is AA193 uricosuric urate mouse.

Six strains of mice were investigated to find an animal model suitable for researching the mechanism of uricosuric agents. A clearance method and a pyrazinamide suppression test were used to examine the mechanism of urate excretion in the kidney and the mode of action of uricosurics, resp. The neg. correlation between the urinary urate excretion and the endogenous plasma urate level was observed, suggesting the net reabsorption of urate may vary between strains. DBA/2N mice showed the lowest fractional excretion of urate (0.278), and the effects of uricosurics on DBA/2N mice are analogous to those of human. This mouse strain is a useful model for the study of uricosurics. AA-193 (I), a potent new uricosuric agent, was tested in DBA/2N mice and found to have a mode of action different from well-known uricosuric agents. It appeared to inhibit presecretory reabsorption in the proximal tubules.

Journal of Pharmacology and Experimental Therapeutics published new progress about Diuresis. 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

Stote, R. M. published the artcileTicrynafen: site of natriuretic activity, Product Details of C13H8Cl2O4S, the main research area is ticrynafen diuresis natriuresis mechanism.

In normal subjects given ticrynafen (I) [40180-04-9] 500 and 1000 mg oral doses under conditions of water diuresis, there was a decrease in free water excretion as osmolar clearance increased. During hydropenia, there was no change in free-water reabsorption as osmolar clearance increased. Maximum Na excretion reached 5.2% of the filtered load. At 500 mg doses, there was no effect on phosphate excretion; with 1000 mg doses, there was a reduction in phosphate excretion. During bicarbonate infusion, there was no change in the absolute or percent reabsorption of bicarbonate. After chronic administration of I, there was no impairment of excretion of an acute acid load. Uric acid excretion increased at least 3-fold in all studies. Thus, at 500 and 1000 mg oral doses, I has the characteristics of a diuretic which is active in the cortical diluting segment of the distal nephron.

Nephron published new progress about Diuresis. 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

Parkinson, Andrew published the artcileAn evaluation of the dilution method for identifying metabolism-dependent inhibitors of cytochrome P450 enzymes, Quality Control of 40180-04-9, the main research area is liver microsome dilution cytochrome P450 inhibitor metabolism.

Metabolism-dependent inhibition (MDI) of cytochrome P 450 is usually assessed in vitro by examining whether the inhibitory potency of a drug candidate increases after a 30-min incubation with human liver microsomes (HLMs). To augment the IC50 shift, many researchers incorporate a dilution step whereby the samples, after being preincubated for 30 min with a high concentration of HLMs (with and without NADPH), are diluted before measuring P 450 activity. In the present study, we show that the greater IC50 shift associated with the dilution method is a consequence of data processing. With the dilution method, IC50 values for direct-acting inhibitors vary with the dilution factor unless they are based on the final (postdilution) inhibitor concentration, whereas the IC50 values for MDIs vary with the dilution factor unless they are based on the initial (predilution) concentration When the latter data are processed on the final inhibitor concentration, as is commonly done, the IC50 values for MDI (shifted IC50 values) decrease by the magnitude of the dilution factor. The lower shifted IC50 values are a consequence of data processing, not enhanced P 450 inactivation. In fact, for many MDIs, increasing the concentration of HLMs actually leads to considerably less P 450 inactivation because of inhibitor depletion and/or binding of the inhibitor to microsomes. A true increase in P 450 inactivation and IC50 shift can be achieved by assessing MDI by a nondilution method and by decreasing the concentration of HLMs. These results have consequences for the conduct of MDI studies and the development of cut-off criteria.

Drug Metabolism and Disposition published new progress about Dilution. 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

Hiremath, Chaitanya N. published the artcileAbbreviated Profile of Drugs (APOD): modeling drug safety profiles to prioritize investigational COVID-19 treatments, Recommanded Product: 2-(2,3-Dichloro-4-(thiophene-2-carbonyl)phenoxy)acetic acid, the main research area is abbreviated profile drug APOD modeling safety profiles prioritize investigational; ADMET; Abbreviated Profile of Drugs (APOD); COVID-19; Drug discovery; Drug safety profile; Pharmacokinetic prediction.

Safe and effective oral formulation of a drug that is easy to store, transport, and administer, is imperative to reach the masses including those without adequate facilities and resources, in order to combat globally transmitted coronavirus disease 2019 (COVID-19). In this decision analytic modeling study, the safety of investigational COVID-19 drugs in clin. trials was assessed using the Abbreviated Profile of Drugs (APOD) methodol. The method was extensively tested for various unbiased datasets based on different criteria such as drugs recalled worldwide for failing to meet safety standards, organ-specific toxicities, cytochrome P 450 inhibitors, and Food and Drug Administration (FDA) approved drugs with remarkable successes. Exptl. validation of the predictions made by APOD were demonstrated by comparison with a progression of multiparametric optimization of a series of cancer drugs that led to a potent drug (GDC-0941) which went into the clin. development. The drugs were classified into three categories of safety profiles: strong, moderate and weak. A total of 3556 drugs available in public databases were examined According to the results, drugs with strong safety profiles included molnupiravir (EIDD-2801), moderate safety profiles included dexamethasone, and weak safety profiles included lopinavir. In this anal., the physicochem.-pharmacokinetic APOD fingerprint was associated with the drug safety profile of withdrawn, approved, as well as drugs in clin. trials and the APOD method facilitated decision-making and prioritization of the investigational treatments.

Heliyon published new progress about COVID-19. 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

Marko, Jason A. published the artcileElectrochemical benzylic oxidation of C-H bonds, HPLC of Formula: 1468-83-3, the main research area is electrochem benzylic oxidation carbon hydrogen bond.

Oxidized products have become increasingly valuable as building blocks for a wide variety of different processes and fine chem., especially in the benzylic position. The authors report herein a sustainable protocol for this transformation through C-H functionalization and was performed using electrochem. as the main power source and tert-Bu hydroperoxide as the radical source for the C-H abstraction. The temperature conditions reported here do not increase >50° and use an aqueous-based medium. A broad substrate scope is explored, along with bioactive mols., to give comparable and increased product yields when compared to prior reported literature without the use of electrochem.

Chemical Communications (Cambridge, United Kingdom) published new progress about C-H bond. 1468-83-3 belongs to class benzothiophene, name is 3-Acetylthiophene, and the molecular formula is C6H6OS, HPLC of Formula: 1468-83-3.

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Bell, Leslie published the artcileEvaluation of fluorescence- and mass spectrometry-based CYP inhibition assays for use in drug discovery, COA of Formula: C13H8Cl2O4S, the main research area is cytochrome P450 drug discovery fluorescence mass spectrometry bioassay.

The potential for metabolism-related drug-drug interactions by new chem. entities is assessed by monitoring the impact of these compounds on cytochrome P 450 (CYP) activity using well-characterized CYP substrates. The conventional gold standard approach for in vitro evaluation of CYP inhibitory potential uses pooled human liver microsomes (HLM) in conjunction with prototypical drug substrates, often quantified by LC-MS/MS. However, fluorescent CYP inhibition assays, which use recombinantly expressed CYPs and fluorogenic probe substrates, have been employed in early drug discovery to provide low-cost, high-throughput assessment of new chem. entities. Despite its greatly enhanced throughput, this approach has been met with mixed success in predicting the data obtained with the conventional gold standard approach (HLM+LC-MS). The authors find that the predictivity of fluorogenic assays for the major CYP isoforms 3A4 and 2D6 may depend on the quality of the test compounds Although the structurally more optimized marketed drugs yielded acceptable correlations between the fluorogenic and HLM+LC-MS/MS assays for CYPs 3A4, 2D6, and 2C9 (r2 = 0.5-0.7; p < 0.005), preoptimization, early discovery compounds yielded poorer correlations (r2 ≤ 0.2) for 2 of these major isoforms, CYPs 3A4 and 2D6. Potential reasons for the observed differences are discussed. Journal of Biomolecular Screening published new progress about Bioassay. 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