Author: tianli

Fredo Naciuk, Fabricio published the artcileDevelopment of Selective Steroid Inhibitors for the Glucose-6-phosphate Dehydrogenase from Trypanosoma cruzi, Category: alcohols-buliding-blocks, the publication is ACS Medicinal Chemistry Letters (2020), 11(6), 1250-1256, database is CAplus and MEDLINE.

Chagas disease is a parasitic infection affecting millions of people across Latin America, imposing a dramatic socioeconomic burden. Despite the availability of drugs nifurtimox and benznidazole, lack of efficacy and incidence of side-effects prompt the identification of novel, efficient, and affordable drug candidates. To address this issue, one strategy could be probing the susceptibility of Trypanosoma parasites toward NADP-dependent enzyme inhibitors. Recently, steroids of the androstane group have been described as highly potent but nonselective inhibitors of parasitic glucose-6-phosphate dehydrogenase (G6PDH). In order to promote selectivity, we have synthesized and evaluated 26 steroid derivatives of epiandrosterone, e.g., I, in enzymic assays, whereby 17 compounds were shown to display moderate to high selectivity for T. cruzi over the human G6PDH. In addition, three compounds were effective in killing intracellular T. cruzi forms infecting rat cardiomyocytes. Altogether, this study provides new SAR data around G6PDH and further supports this target for treating Chagas disease.

ACS Medicinal Chemistry Letters published new progress about 57044-25-4. 57044-25-4 belongs to alcohols-buliding-blocks, auxiliary class Epoxides,Chiral,Aliphatic hydrocarbon chain,Alcohol, name is (R)-Oxiran-2-ylmethanol, and the molecular formula is C3H6O2, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Tomer, K. B. published the artcileMass spectrometry in structural and stereochemical problems. CCXXXI. Differentiation between tautomeric ion structures (phenol versus cyclohexadienone), Synthetic Route of 20117-47-9, the publication is Tetrahedron (1973), 29(22), 3491-6, database is CAplus.

Ion cyclotron resonance and pulsed double resonance spectra of ion-mol. reactions of bicyclo[2.2.2]oct-2-en-5,7-dione, PhOD, and C6D5OH with Pr2CO and 1-methylcyclobutanol were determined and the results applied to the structure determination of the C6H6O+ ion generated by electron impact induced expulsion of CH2:CO from PhOAc. The ion was PhO+, not cyclohexadienone+.

Tetrahedron published new progress about 20117-47-9. 20117-47-9 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic cyclic hydrocarbon,Alcohol, name is 1-Methylcyclobutan-1-ol, and the molecular formula is C4H8F3NO, Synthetic Route of 20117-47-9.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Wang, En-Xu published the artcileReorganization of a synthetic microbial consortium for one-step vitamin C fermentation, Product Details of C6H10O7, the publication is Microbial Cell Factories (2016), 21/1-21/11, database is CAplus and MEDLINE.

Background: In the industry, the conventional two-step fermentation method was used to produce 2-keto-L-gulonic acid (2-KGA), the precursor of vitamin C, by three strains, namely, Gluconobacter oxydans, Bacillus spp. and Ketogulonicigenium vulgare. Despite its high production efficiency, the long incubation period and an addnl. second sterilization process inhibit the further development. Therefore, we aimed to reorganize a synthetic consortium of G. oxydans and K. vulgare for one-step fermentation of 2-KGA and enhance the symbiotic interaction between microorganisms to perform better. Results: During the fermentation, competition for sorbose of G. oxydans arose when co-cultured with K. vulgare. In this study, the competition between the two microbes was alleviated and their mutualism was enhanced by deleting genes involved in sorbose metabolism of G. oxydans. In the engineered synthetic consortium (H₆ + Kv), the yield of 2-KGA (mol/mol) against d-sorbitol reached 89.7 % within 36 h, increased by 29.6 %. Furthermore, metabolomic anal. was used to verify the enhancement of the symbiotic relationship and to provide us potential strategies for improving the synthetic consortium. Addnl., a significant redistribution of metabolism occurred by co-culturing the K. vulgare with the engineered G. oxydans, mainly reflected in the increased TCA cycle, purine, and fatty acid metabolism Conclusions: We reorganized and optimized a synthetic consortium of G. oxydans and K. vulgare to produce 2-KGA directly from d-sorbitol. The yield of 2-KGA was comparable to that of the conventional two-step fermentation The metabolic interaction between the strains was further investigated by metabolomics, which verified the enhancement of the mutualism between the microbes and gave us a better understanding of the synthetic consortium.

Microbial Cell Factories published new progress about 526-98-7. 526-98-7 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Other Sugar Units, name is (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, and the molecular formula is C10H2F12NiO4, Product Details of C6H10O7.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Ge, Jie published the artcileEffect of food on the pharmacokinetics of triflusal and its major active metabolite, 2-hydroxy-4-trifluoromethyl benzoic acid, in healthy subjects, SDS of cas: 328-90-5, the publication is International Journal of Clinical Pharmacology and Therapeutics (2015), 53(3), 272-276, database is CAplus and MEDLINE.

Objective: The objective of this study was to evaluate the pharmacokinetic parameters of triflusal and its major active metabolite, 2-hydroxy-4-trifluoromethyl benzoic acid (HTB), following a single oral dose of 900 mg in healthy subjects under fed and fasting conditions. Methods: The study participants (n = 12) were randomized to receive one 900 mg triflusal capsule in a fasting condition (no food for 12 h) or a fed condition (after a high-fat meal); after a 2-wk washout period, participants received the same dose of triflusal capsule under the converse condition. Pharmacokinetic parameters were calculated using WinNonlin 6.2 software. Safety was evaluated through assessment of adverse events, standard laboratory evaluations, vital signs, and 12-lead electrocardiog. Results: The mean Cmax of triflusal and HTB were 13.96, 110.2 ug/mL for the fasting state and 9.546, 97.15 ug/mL for the fed state, resp. The AUC0-144 of triflusal and HTB were 19.66, 5,572 h × μg/mL for the fasting state and 22.20, 5,038 h × μg/mL for the fed state, the AUC0-∞ of triflusal and HTB were 19.79, 6,333 h × μg/mL for the fasting state and 22.44, 5,632 h × μg/mL for the fed state, resp. The results showed that Cmax and AUCs for triflusal were outside the bioequivalency (BE) interval after food intake, but there was no statistically significant change for HTB. Conclusion: High-fat food intake may affect the pharmacokinetics of triflusal capsule in healthy subjects.

International Journal of Clinical Pharmacology and Therapeutics published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, SDS of cas: 328-90-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Qian, Ya-fang published the artcileDetermination of triflusal and its active metabolite 2-hydroxy-4-(trifluoromethyl)benzoic acid in human plasma by LC-MS, Category: alcohols-buliding-blocks, the publication is Yaowu Fenxi Zazhi (2014), 34(9), 1541-1548, database is CAplus.

A reliable liquid chromatog.-mass spectrometry (LC-MS) method for the determination of triflusal and its active metabolite 2-hydroxy-4-(trifluoromethyl)benzoic acid (HTB) in human plasma was developed. The stability of triflusal in human plasma was evaluated when formic acid of different concentrations was used as the esterase inhibitor. The plasma concentrations of triflusal and HTB were determined by LC-MS, resp. Separation of the analytes was achieved on a Hedera ODS-2 column, and MS determination was carried out in electrospray ionization mode. The stability of triflusal in human plasma was kept by adding 20 μL of 4% formic acid to an aliquot of 400 μL of plasma, and then triflusal was extracted with acetyl acetate. Triflusal was eluted with a mobile phase of acetonitrile (A)-5 mmol·L^-1 ammonium acetate solution containing 0.1 % acetic acid (B) using gradient elution (0-0.1 min, 20%A; 0.1-0.15 min, 20%A→30%A; 0.15-6 min, 30%A; 6-6.5 min, 30% A→100% A; 6.5-9.5 min, 100% A; 9.5-10 min, 100% A→20% A; 10-13.7 min, 20% A) at a flow rate of 0.4 mL·min^-1. The deprotonated ions were at m/z 247.0 and 150.0 for monitoring for triflusal and the internal standard (IS) paracetamol, resp. The protein precipitation method was used for HTB sample treatment. HTB in the treated samples was separated with a mobile phase of methanol-5 mmol·L^-1 ammonium acetate solution containing 3% formic acid (75:25) at a flow rate of 0.25 mL·min^-1. The deprotonated ions were at m/z 205.0 and 137.0 for monitoring for HTB and salicylic acid (IS) resp. The calibration ranges were 0.01-20.37 μg·mL^-1 and 0.7-159.9 μg·mL^-1 for triflusal and HTB, resp. As the lower limit of quantitation for triflusal (0.01 μg·mL^-1) was lower than that by the previous reported methods (0.03 μg·mL^-1), the elimination half-life of triflusal in human could be determined more accurately. The current method was successfully applied to determine the concentration levels of triflusal and HTB in human plasma. The methods can be used for determination of triflusal and HTB in human plasma in pharmacokinetics and bioequivalence studies.

Yaowu Fenxi Zazhi published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Gao, Qingwei published the artcileExploring the synergism of sunlight and electrooxidation on persulfate activation for efficient degradation of bisphenol S: Performance, Pathway, and mechanism, SDS of cas: 80-09-1, the publication is Chemical Engineering Journal (Amsterdam, Netherlands) (2022), 437(Part_1), 135318, database is CAplus.

Sulfate radical-based advanced oxidation processes had been widely applied in the water treatment. In this study, a novel solar-assisted electrooxidation process (SEOP) to activate peroxymonosulfate (PMS) or peroxydisulfate (PDS) was conducted for the degradation of bisphenol S (BPS). The SEOP with persulfate (PS) demonstrated its synergistic effect for BPS degradation, compared with the electrooxidation/PS and the solar process. The hydroxyl radical, sulfate radical (SO·-4), and singlet oxygen were regarded as primary active species in BPS degradation in SEOP with PS. The transition structure complex (persulfate*) on the anode promoted the efficiency of BPS degradation via the non-radical mechanism. The activation of PMS and PDS in SEOP was dominated through radical and non-radical mechanism, resp. To effectively supplement exptl. work with quantum chem. calculation, d. function theory (DFT) showed that the active sites mainly focused on the phenol ring of BPS. The energy barrier calculation indicated that BPS was more susceptible to be attacked by SO·-4 through electron transfer. BPS was mainly degraded by ring-opening, substitution, addition, C-C bond breaking, and decarboxylation reactions. Furthermore, the effective decrease in bio-toxicity of BPS intermediates in SEOP with PS was predicted. Experiments under various current densities, initial concentration of PS, electrolyte, and humic acid suggested the feasibility of SEOP with PS. BPS was degraded with lower energy consumption (0.18 kWh·m^-3·order^-1) in SEOP with PMS than that in SEOP with PDS (0.30 kWh·m^-3·order^-1) and without PS (0.38 kWh·m^-3 order^-1), resp. The SEOP with PS poses the feasible, convenient, and economic potential for the degradation of refractory pollutants.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about 80-09-1. 80-09-1 belongs to alcohols-buliding-blocks, auxiliary class Ploymers, name is 4,4′-Sulfonyldiphenol, and the molecular formula is C12H10O4S, SDS of cas: 80-09-1.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Zhang, Yuandi published the artcileCharacteristics of the microbiota and metabolic profile of high-temperature Daqu with different grades, Application of 2-Hydroxy-2-phenylacetic acid, the publication is World Journal of Microbiology & Biotechnology (2022), 38(8), 137, database is CAplus and MEDLINE.

The superior grade Daqu (S_Daqu) and normal grade Daqu (N_Daqu) have obvious differences in flavor, fracture surface, appearance, etc., which can be accurately grouped by well-trained panel based on their sensory properties. However, the differences in microbial community diversity and metabolites between the S_Daqu and N_Daqu were still unclear. The culture-dependent method, the third generation Pacific Biosciences (PacBio) single-mol., real-time (SMRT) sequencing technol., and NMR (NMR) were combined to show the characteristics in microorganisms and metabolites. This showed that the fungal counts were higher in N_Daqu while the richness of bacterial communities was higher in S_Daqu (P < 0.05). Lentibacillus, Burkholderia, Saccharopolyspora, Thermoascus, and Rasamsonia were the dominant genera of S_Daqu while Staphylococcus, Scopulibacillus, and Chromocleista were the dominant genera in N_Daqu. The content of differential acids, amino acids, and alcs. including fumarate, glucuronate, glycine, 4-carboxyglutamate, and myo-inositol in S_Daqu was higher than that in N_Daqu by 1H NMR coupled with multivariate statistical anal. The network anal. regarding microbes and metabolites suggested that Saccharopolyspora showed a strong pos. correlation with 4-carboxyglutamate while Thermoascus and Chromocleista were highly neg. correlated with alanine and isobutyrate, resp. Linear Discriminant Anal. (LDA) Effect Size (LEfSe) revealed that Macrococcus and Caulobacter were regarded as bacterial biomarkers in the S_Daqu while Chromocleista was the key fungal genera in N_Daqu. Functionality prediction indicated that the bacteria in S_Daqu were largely involved in more metabolic activities including biosynthesis, degradation, detoxification, and generation of precursor metabolite and energy.

World Journal of Microbiology & Biotechnology published new progress about 90-64-2. 90-64-2 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Alcohol,Natural product, name is 2-Hydroxy-2-phenylacetic acid, and the molecular formula is C9H9F5Si, Application of 2-Hydroxy-2-phenylacetic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Panferova, Liubov I. published the artcileLight-Mediated Sulfur-Boron Exchange, Category: alcohols-buliding-blocks, the publication is Organic Letters (2021), 23(10), 3919-3922, database is CAplus and MEDLINE.

Photochem. organocatalytic substitution of pyridylthio group in alkyl tetrafluoropyridinyl thioethers RS-4-C₅F₄N with bis(catecholato)diboron followed by treatment with pinacol and triethylamine affording pinacol boronic esters RBpin is described. The reaction is promoted by an organic photocatalyst, 2,4,6-tris(diphenylamino)-3,5-difluorobenzonitrile (3DPA2FBN) under irradiation with 400 nm light, and works with primary, secondary, and tertiary sulfides. The electron depleting character of the fluorinated pyridine fragment plays an important role in generating alkyl radicals.

Organic Letters published new progress about 608534-44-7. 608534-44-7 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic,Boronic acid and ester,Boronate Esters,Boronic Acids,Boronic acid and ester, name is 2-(2,3-Dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C15H21BO2, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Blaser, Hans-Ulrich published the artcileNo Stirring Necessary: Parallel Carbonylation of Aryl Halides with CO and Various Alcohols under Pressure, HPLC of Formula: 27292-49-5, the publication is Journal of Organic Chemistry (2003), 68(9), 3725-3728, database is CAplus and MEDLINE.

The parallel carbonylation of aryl and heteroaryl halides R¹X (R¹ = 4-MeCOC₆H₄, X = Br; R¹ = 2-pyridyl, X = Cl) with 6-25 bar of CO in 1-mL vials in a standard autoclave in the presence of an O-nucleophile R²OH (R² = Bu, PhCH₂, cyclopentyl, etc.) to give the corresponding esters R¹CO₂R² was investigated. With 2-chloropyridine as a model substrate, 102 different O-nucleophiles (primary and secondary alcs., phenols) were studied. No inertization during the loading was necessary. Fifty esters (43 new, yield up to 60%) were isolated and characterized. Ether, ester, ketone, and sometimes even olefin functionalities were usually tolerated. The new method is suitable for screening and small scale synthesis.

Journal of Organic Chemistry published new progress about 27292-49-5. 27292-49-5 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Benzene,Phenol, name is 3-Morpholinophenol, and the molecular formula is C10H13NO2, HPLC of Formula: 27292-49-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Giroud, Maude published the artcileRepurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors, Synthetic Route of 328-90-5, the publication is Journal of Medicinal Chemistry (2018), 61(8), 3350-3369, database is CAplus and MEDLINE.

Rhodesain (RD) is a parasitic, human cathepsin L (hCatL) like cysteine protease produced by Trypanosoma brucei (T. b.) species and a potential drug target for the treatment of human African trypanosomiasis (HAT). A library of hCatL inhibitors was screened, and macrocyclic lactams were identified as potent RD inhibitors (K_i < 10 nM), preventing the cell-growth of Trypanosoma brucei rhodesiense (IC₅₀ < 400 nM). SARs addressing the S2 and S3 pockets of RD were established. Three cocrystal structures with RD revealed a noncovalent binding mode of this ligand class due to oxidation of the catalytic Cys 25 to a sulfenic acid (Cys-SOH) during crystallization The P-glycoprotein efflux ratio was measured and the in vivo brain penetration in rats determined When tested in vivo in acute HAT model, the compounds permitted up to 16.25 (vs. 13.0 for untreated controls) mean days of survival.

Journal of Medicinal Chemistry published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Synthetic Route of 328-90-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts