Month: October 2022

Ding, Li; Pannecouque, Christophe; De Clercq, Erik; Zhuang, Chunlin; Chen, Fen-Er published the artcile< Improving Druggability of Novel Diarylpyrimidine NNRTIs by a Fragment-Based Replacement Strategy: From Biphenyl-DAPYs to Heteroaromatic-Biphenyl-DAPYs>, Formula: C12H18BNO2, the main research area is difluorobiphenyl diarylpyrimidine synthesis NNRTIs antiHIV solubility cytotoxicity.

A series of novel heteroaromatic-difluoro-biphenyl-diarylpyrimidines were designed as non-nucleoside anti-HIV inhibitors targeting reverse transcriptase by a fragment-based replacement strategy with the purpose of improving the druggability. Hopping five- or six-membered heterocycle groups on the biphenyl moiety as bioisosterism for intrinsically cyanophenyl gave 23 derivatives All of these compounds possessed excellent HIV-1 inhibitory activity in the nanomolar range. Among them, 12g (I) with a 4-pyridine group displayed excellent inhibitory activity toward WT and mutant HIV virus possessing significant selectivity. Moreover, this compound exhibited a decent improvement in druggability than etravirine and rilpivirine: (1) The hydrochloric acid salt of 12g (I) exhibited significantly improved water solubility in different pH conditions. (2) 12g (I) did not show apparent CYP enzymic inhibitory activity or acute toxicity. (3) Excellent oral bioavailability was also revealed (F = 126%, rats) in 12g. Collectively, these novel heteroaromatic-biphenyl-DAPYs represent promising drug candidates for HIV clin. therapy.

Journal of Medicinal Chemistry published new progress about Anti-HIV agents. 660867-80-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H18BNO2, Formula: C12H18BNO2.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Mukherji, Ananya; Kancharla, Pavan K. published the artcile< C-H···Anion Interactions Assisted Addition of Water to Glycals by Sterically Hindered 2,4,6-Tri-tert-butylpyridinium Hydrochloride>, Quality Control of 4064-06-6, the main research area is pyridinium hydrochloride catalyst stereoselective hydroxylation glycoside preparation glycal; crystal structure steric effect silyl hemiacetal disaccharide glycosylation glycoside.

The conjugate acid of the bulky base 2,4,6-tri-tert-butylpyridine, under mild conditions, catalyzes the synthesis of silyl-protected 2-deoxy-hemiacetals and their dimerized products from glycals at varying concentrations of water. The criticality of the concentration of water in the reaction outcome is indicative of a unique mechanistic pathway for the bulky pyridine salt and not via the general Bronsted acid mechanism. The various silyl-protected hemiacetals thus synthesized were successfully utilized in the stereoselective synthesis of both α and β glycosides.

Organic Letters published new progress about Crystal structure. 4064-06-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H20O6, Quality Control of 4064-06-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Liu, Bin; Elder, W. Zachary; Miyake, Garret M. published the artcile< Scalable and Phosphine-Free Conversion of Alcohols to Carbon-Heteroatom Bonds through Blue-Light Promoted Iodination Reaction>, Reference of 699-12-7, the main research area is alc scalable carbon heteroatom bond blue light iodination.

A simple route toward the diverse conversion of alcs. via an SN2 pathway, in which blue light promoted iodination is used to form alkyl iodide intermediates from simple unreactive alcs. ROH [R = hex-5-yn-1-yl, 2-(1H-indol-3-yl)ethyl, cyclopentyl, etc.] was reported. The scope of the process tolerates a range of nucleophiles R1H [R1 = CN, (4-bromophenyl)carbonyloxidanyl, quinolin-6-yloxidanyl, (furan-2-yl)carbonyloxy, etc.] to construct C-N, C-O, C-S, and C-C bonds. Furthermore, this method can be used for the preparation and late stage functionalization of pharmaceuticals, as highlighted by the synthesis of thiocarlide, butoxycaine, and pramoxine.

Journal of Organic Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 699-12-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H10OS, Reference of 699-12-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Feng, Simin; Luan, Di; Ning, Ke; Shao, Ping; Sun, Peilong published the artcile< Ultrafiltration isolation, hypoglycemic activity analysis and structural characterization of polysaccharides from Brasenia schreberi>, Application In Synthesis of 3458-28-4, the main research area is Brasenia hypoglycemic structural characterization; Brasenia schreberi; Hypoglycemic; Molecular conformation; Polysaccharides.

Brasenia schreberi (B. schreberi) is a rare and precious vegetable, which coat with a gelatinous mucilage. This study is aiming to investigate the relationship between structural characteristics and hypoglycemic activities of polysaccharides with different mol. weight (Mw) range. Three polysaccharides fractions, namely BSP-U100 (50-100 kDa), BSP-U50 (10-50 kDa) and BSP-U10 (<10 kDa), were isolated from B. schreberi mucilage using ultrafiltration method. Compared to other polysaccharide samples, only BSP-U100 had a triple helix structure and existed as the ordered structure in aqueous solution Furthermore, BSP-U100 exhibited higher α-amylase (IC50 = 0.4414 mg/mL) and α-glucosidase (IC50 = 0.5993 mg/mL) inhibitory activity. A heteropolysaccharide BSP-1a, which average Mw was 83.98 kDa, was purified from BSP-U100 by DEAE Sepharose Fast Flow and Sephadex G-75 column. D-galactose (66.85%), D-glucose (2.05%) and D-mannose (1.65%) were three main monosaccharides of BSP-1a. Structural characterization of BSP-1a showed that BSP-1a might be a kind of L-D-pyranose type galactose and mainly composed of α-1 → 6-linked Galp, α-1 → 3-linked Manp and α-1 → 4-linked Glcp. This study provided a theor. basis for the development and application of B. schreberi polysaccharides as a potential anti-diabetic supplement. International Journal of Biological Macromolecules published new progress about Antidiabetic agents. 3458-28-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, Application In Synthesis of 3458-28-4.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Mumcu, Akin published the artcile< A simple and feasible method for the quantification of metabolites in the human follicular fluid using 1H HR-MAS NMR spectroscopy>, Category: alcohols-buliding-blocks, the main research area is metabolite follicular fluid magic angle spinning spectroscopy.

This study presents a reliable method for the quantification of metabolite concentrations in follicular fluid with the high-resolution magic angle spinning NMR (HRMAS NMR) spectroscopy and the ERETIC2 (Electronic Reference To access In vivo Concentrations) based on PULCON (pulse length based concentration determination) principle. The pos. effect of the HR-MAS probe technol. on spectral quality and its ability to perform analyses with very low sample amounts were the most important factors of proposing this method. In evaluating the performance of the proposed method, standard creatine solutions in different concentrations containing DSS (2,2-dimethyl-2-silapentane-5-sulfonate sodium salt) as an internal reference standard were analyzed using different pulse programs (cpmgpr1d and zg30). The results obtained with the ERETIC2 were compared with the classical internal standard NMR quantification method (DSS method). The relative standard deviation (RSD) values for ERETIC2 were in the range of 0.3% – 5.7% and recovery values were calculated as min. 90.3%, while RSD values for DSS method were in the range of 0.1% – 3.1% and recovery values were min. 97.0%. Besides, it was observed that the metabolite concentration values calculated using the ERETIC2 procedure of follicular fluid samples obtained from the women with endometriosis and healthy controls were compatible with the values those obtained using different methodologies. The obtained results showed that the proposed quantification method based on the HR-MAS spectroscopy can easily be used in biol. fluids and therefore it can be utilized as a good alternative to the internal standard method considering its accuracy and precision.

Journal of the Turkish Chemical Society, Section A: Chemistry published new progress about Endometriosis. 492-62-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Le, Thuy G.; Kundu, Abhijit; Ghoshal, Atanu; Nguyen, Nghi H.; Preston, Sarah; Jiao, Yaqing; Ruan, Banfeng; Xue, Lian; Huang, Fei; Keiser, Jennifer; Hofmann, Andreas; Chang, Bill C. H.; Garcia-Bustos, Jose; Wells, Timothy N. C.; Palmer, Michael J.; Jabbar, Abdul; Gasser, Robin B.; Baell, Jonathan B. published the artcile< Novel 1-Methyl-1H-pyrazole-5-carboxamide Derivatives with Potent Anthelmintic Activity>, Category: alcohols-buliding-blocks, the main research area is anthelmintic resistance phenotypic screen Haemonchus SAR hookworms whipworms.

A phenotypic screen of two different libraries of small mols. against the motility and development of the parasitic nematode Haemonchus contortus led to the identification of two 1-methyl-1H-pyrazole-5-carboxamide derivatives Medicinal chem. optimization targeted modifications of the left-hand side, middle section, and right-hand side of the hybrid structure of these two hits to elucidate the structure-activity relationship (SAR). Initial SAR around these hits allowed for the iterative and directed assembly of a focused set of 30 analogs of their hybrid structure. Compounds 10, 17, 20, and 22 were identified as the most potent compounds, inhibiting the development of the fourth larval (L4) stage of H. contortus at sub-nanomolar potencies while displaying strong selectivity toward the parasite when tested in vitro against the human MCF10A cell line. In addition, compounds 9 and 27 showed promising activity against a panel of other parasitic nematodes, including hookworms and whipworms.

Journal of Medicinal Chemistry published new progress about Anthelmintics. 29335-36-2 belongs to class alcohols-buliding-blocks, and the molecular formula is C3H8N2O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhou, Si-Yu; Hu, Xin-Ping; Liu, Hui-Juan; Zhang, Qing-Ju; Liao, Jin-Xi; Tu, Yuan-Hong; Sun, Jian-Song published the artcile< 8-(Methyltosylaminoethynyl)-1-naphthyl (MTAEN) Glycosides: Potent Donors in Glycosides Synthesis>, Electric Literature of 4064-06-6, the main research area is crystal structure oligosaccharide synthesis glycosylation glycoside; phase transfer catalysis oligosaccharide synthesis MTAEN methyltosylaminoethynylnaphthyl glycosylation glycoside.

With 8-(methyltosylaminoethynyl)-1-naphthyl (MTAEN) glycoside as donors, a novel and efficient glycosylation protocol has been established. The MTAEN glycosylation protocol exhibits the merits of shelf-stable donors, mild catalytic promotion conditions, considerably extended substrate scope encompassing both free alcs., silylated alcs., nucleobases, primary amides, and C-type nucleophile acceptors, and applicability to various one-pot strategies for highly efficient synthesis of oligosaccharides, such as orthogonal one-pot, single-catalyst one-pot, and acceptor reactivity-controlled one-pot strategies.

Organic Letters published new progress about Catalysis. 4064-06-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H20O6, Electric Literature of 4064-06-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Saraf, Isha; Marsh, Karen J.; Kumar, Vineet; Foley, William J.; Singh, Inder Pal published the artcile< Comparative qualitative analysis of different classes of compounds in selected Australian and Indian Eucalyptus and Corymbia species: a convenient de-replication method for the eucalypts>, Category: alcohols-buliding-blocks, the main research area is Australian Indian eucalyptus corymbia flavonoid glycoside triterpenoid phloroglucinol; high performance thin layer chromatog dereplication qual analysis.

Eucalypts are a large group of woody trees with about 900 taxa in 3 genera: Eucalyptus, Corymbia and Angophora. The secondary metabolites of eucalypts have shown a plethora of biol. activities. The chem. behind the activities of eucalypts is being unearthed with advancements in modern medicine and drugstore. This has demanded the phytochem. profiling of eucalypts with respect to their bioactive constituents. A large number of secondary metabolites (flavonoids, glycosides, triterpenoids, phloroglucinols) from several species of eucalypts have been earlier isolated by our group. In order to develop quick identification of secondary metabolites from eucalypts for de-replication purposes, we thought it worthwhile to develop qual. HPTLC methods for these compounds in 15 eucalypts (13 Eucalyptus and 2 Corymbia) collected from Australia and India. High-performance thin-layer chromatog. fingerprints using 87 compounds of the above chem. classes of natural products were developed for the quality assessment of eucalypts.

Journal of Planar Chromatography–Modern TLC published new progress about Angophora. 4396-13-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H6O5, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Boruah, Tribani; Das, Sabuj Kanti; Kumar, Greesh; Mondal, Saptarsi; Dey, Ramendra Sundar published the artcile< Dual active sites in a triazine-based covalent organic polymeric framework promoting oxygen reduction reaction>, COA of Formula: C8H6O5, the main research area is triazine covalent organic polymeric framework oxygen reduction reaction.

A new significant feature of a triazine-based covalent organic polymer electrocatalyst is demonstrated. The metal-free electrocatalyst has dual-active sites, which enable it to entangle oxygen via a push-pull interaction that plays a crucial role in promoting the oxygen reduction reaction.

Chemical Communications (Cambridge, United Kingdom) published new progress about Crystallinity. 4396-13-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H6O5, COA of Formula: C8H6O5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Hai-Lou; Lian, Chen; Yin, Da-Peng; Yang, Guo-Yu published the artcile< Three Zr(IV)-Substituted Polyoxotungstate Aggregates: Structural Transformation from Tungstoantimonate to Tungstophosphate Induced by pH>, Computed Properties of 699-12-7, the main research area is zirconium antimony polyoxotungstate complex preparation oxidation catalyst thermal stability; crystal structure zirconium antimony polyoxotungstate complex.

Three novel Zr-substituted polyoxotungstate aggregates [H2N(CH3)2]7NaH2[Zr2Sb2O3(A-α-PW9O34)2]·16H2O (1), [H2N(CH3)2]6H12[ZrSb4(OH)O2(A-α-PW8O32)(A-α-PW9O34)]2·33H2O (2), and [H2N(CH3)2]4Na11.5H4.5[Zr4W8Sb4P5O49(OH)5(B-α-SbW9O33)2]·53H2O (3) have been made in hydrothermal reactions of the [B-α-SbW9O33]9- precursor with Zr4+ cations and PO43- anions in the presence of dimethylamine hydrochloride and sodium acetate buffer (pH = 4.8) and structurally characterized. Different pH values induce structural transformation from tungstoantimonate (TA) to tungstophosphate (TP). 1 Is a di-Zr-substituted sandwich-type TP, the tetranuclear heterometallic [Zr2Sb2O3]8+ entity sandwiched by two [A-α-PW9O34]9- moieties. 2 Is a double sandwich-type structure, which can be perceived as two equivalent sandwiched [Sb3(PW8O32)(PW9O34)]11- further sandwiching one [Sb2Zr2(OH)2O4]4+ core to form a novel large-size sandwich-type architecture. Different from 1 and 2, 3 is a tetra-Zr-substituted sandwiched configuration, in which two [B-α-SbW9O33]9- fragments sandwich a unique 21-core Sb-P-W-Zr oxo cluster ({Zr4W8Sb4P5}). Furthermore, the catalytic oxidation of aromatic thioethers by 3 as the heterogeneous catalyst has been investigated, showing high conversion and remarkable selectivity as well as excellent recyclability.

Inorganic Chemistry published new progress about Crystal structure. 699-12-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H10OS, Computed Properties of 699-12-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts