Month: October 2022

Zheng, Ye; Wills, Martin published the artcile< Asymmetric transfer hydrogenation of boronic acid pinacol ester (Bpin)-containing acetophenones>, Related Products of 1192620-83-9, the main research area is boronic acid pinacol ester acetophenone enantioselective transfer hydrogenation; hydroxyethylphenyl boronic acid pinacol ester preparation haloarene palladium coupling; aryl phenylethanol preparation.

A series of Bpin-containing acetophenone derivatives were reduced by asym. transfer hydrogenation (ATH), using Noyori-Ikariya catalysts, with formic acid/triethylamine, to alcs. in high ee when the Bpin is in the para- or meta-position. Substrates containing ortho-Bpin groups were reduced in lower ee, with formation of a cyclic boron-containing group. The products were converted to substituted derivatives using Pd-catalyzed coupling reactions. The results represent the first examples of ATH of Bpin-containing ketones.

Organic & Biomolecular Chemistry published new progress about Aromatic alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 1192620-83-9 belongs to class amides-buliding-blocks, and the molecular formula is C30H31ClN2O2RuS, Related Products of 1192620-83-9.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Liu, Zhiqing; Chen, Haiying; Wang, Pingyuan; Li, Yi; Wold, Eric A.; Leonard, Paul G.; Joseph, Sarah; Brasier, Allan R.; Tian, Bing; Zhou, Jia published the artcile< Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation>, SDS of cas: 112253-70-0, the main research area is arylquinazolinone arylchromone preparation inhibitor BRD4 antiinflammatory agent; structure arylquinazolinone arylchromone antiinflammatory activity inhibition BRD4; selectivity arylchromone inhibition BRD4 pharmacokinetics metabolism hERG CYP.

Arylquinazolinones and arylchromenones such as I (X = CH2, MeN) were prepared as selective inhibitors of bromodomain-containing protein 4 (BRD4) for potential use as orally bioavailable antiinflammatory agents. I inhibited BRD4 with IC50 values of 67-84 nM and were selective for BRD1 over binding domains of BRD2, BRD3, and BRDT and over CBP; I inhibited the expression of Toll-like receptor (TLR3)-induced inflammatory genes in vitro and inhibited airway inflammation in mice. The pharmacokinetics (t1/2, AUC, Cmax, and clearance), metabolic stability of I (X = NMe) in murine and human cells, and inhibition of cytochrome P450 enzymes and hERG by I (X = MeN) were determined The structure of I (X = NMe) bound to human BRD4 binding domain 1 was determined by X-ray crystallog.

Journal of Medicinal Chemistry published new progress about Anti-inflammatory agents. 112253-70-0 belongs to class amides-buliding-blocks, and the molecular formula is C7H7BrN2O, SDS of cas: 112253-70-0.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Hung, Alvin W.; Silvestre, H. Leonardo; Wen, Shijun; George, Guillaume P. C.; Boland, Jennifer; Blundell, Tom L.; Ciulli, Alessio; Abell, Chris published the artcile< Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis>, Recommanded Product: Morpholine-4-sulfonamide, the main research area is Mycobacterium pantothenate synthetase inhibitor preparation design structure activity tuberculostatic; indole derivative preparation Mycobacterium pantothenate synthetase inhibitor structure activity; Mycobacterium tuberculosis; drug design; fragment-based screening; group efficiency; pantothenate synthetase.

Ligand efficiency has proven to be a valuable concept for optimization of leads in the early stages of drug design. Taking this one step further, group efficiency (GE) evaluates the binding efficiency of each appendage of a mol., further fine-tuning the drug design process. Here, GE anal. is used to systematically improve the potency of inhibitors of Mycobacterium tuberculosis pantothenate synthetase, an important target in tuberculosis therapy. Binding efficiencies were found to be distributed unevenly within a lead mol. derived using a fragment-based approach. Substitution of the less efficient parts of the mol. allowed systematic development of more potent compounds This method of dissecting and analyzing different groups within a mol. offers a rational and general way of carrying out lead optimization, with potential broad application within drug discovery.

ChemMedChem published new progress about Binding energy. 25999-04-6 belongs to class amides-buliding-blocks, and the molecular formula is C4H10N2O3S, Recommanded Product: Morpholine-4-sulfonamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Jin, Bo-Ram; Kim, Hyo-Jung; Sim, Seo-Ah; Lee, Minho; An, Hyo-Jin published the artcile< Anti-Obesity Drug Orlistat Alleviates Western-Diet-Driven Colitis-Associated Colon Cancer via Inhibition of STAT3 and NF-κB-Mediated Signaling>, Safety of (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate, the main research area is NF-κB; STAT3; Western diet; azoxymethane (AOM)/dextran sulfate sodium (DSS) model; colitis-associated colon cancer (CAC); orlistat.

Many researchers have argued that Western diet (WD)-induced obesity accelerates inflammation and that inflammation is a link between obesity and colorectal cancer (CRC). This study investigated the effect of WDs on the development and progression of colitis-associated colon cancer (CAC) and the efficacy of the anti-obesity agent orlistat on WD-driven CAC in mice. The results revealed that the WD exacerbated CAC in azoxymethane (AOM)/dextran sulfate sodium (DSS)-induced mice, which showed increased mortality, tumor formation, and aggravation of tumor progression. Furthermore, WD feeding also upregulated inflammation, hyperplasia, and tumorigenicity levels through the activation of STAT3 and NF-κB signaling in an AOM/DSS-induced mouse model. In contrast, treatment with orlistat increased the survival rate and alleviated the symptoms of CAC, including a recovery in colon length and tumor production decreases in WD-driven AOM/DSS-induced mice. Addnl., orlistat inhibited the extent of inflammation, hyperplasia, and tumor progression via the inhibition of STAT3 and NF-κB activation. Treatment with orlistat also suppressed the β-catenin, slug, XIAP, Cdk4, cyclin D, and Bcl-2 protein levels in WD-driven AOM/DSS-induced mice. The results of this study indicate that orlistat alleviates colon cancer promotion in WD-driven CAC mice by suppressing inflammation, especially by inhibiting STAT3 and NF-κB activation.

Cells published new progress about 96829-58-2. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, Safety of (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Maybhate, Shailaja P.; Rajamohanan, Pattuparambil P.; Rajappa, Srinivasachari published the artcile< Regiospecific synthesis of N-sulfonyl derivatives of 3,5-diamino-1H-1,2,4-triazole and 2,5-diamino-1,3,4-thiadiazole>, Product Details of C4H10N2O3S, the main research area is aminoguanidine cyclocondensation alkylsulfonylcarbodithioimidate; hydrazinecarbothioamide cyclocondensation alkylsulfonylcarbodithioimidate; sulfonylaminotriazole; sulfonylaminothiadiazole; triazole sulfonylamino; thiadiazole sulfonylamino.

Condensation of (MeS)2C:NSO2R (R = 4-R1C6H4, 2-thienyl, piperidino, morpholino R1 = H, Me, MeO, Cl, AcNH) with aminoguanidine bicarbonate and hydrazinecarbothioamide leads to the regiospecific synthesis of N-sulfonyl derivatives of 3,5-diamino-1H-1,2,4-triazole I and 2,5-diamino-1,3,4-thiadiazole II, resp.

Synthesis published new progress about Cyclocondensation reaction. 25999-04-6 belongs to class amides-buliding-blocks, and the molecular formula is C4H10N2O3S, Product Details of C4H10N2O3S.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Vats, Bal Govind; Gamare, Jayashree S.; Kannan, S.; Pius, I. C.; Noronha, D. M.; Kumar, M. published the artcile< Synthesis, structural and extraction studies of new bifunctional ligand with uranium>, Related Products of 5326-82-9, the main research area is crystal structure uranyl isobutylcarbamoylthio pyridyloxide; uranyl alkylcarbamoylthio pyridyloxide preparation; actinide solvent extraction alkylcarbamoylthio pyridyloxide.

A new bifunctional ligand system (N,N-dialkyl carbamoyl Me) (2-pyridyl-N-Oxide) sulfide C5H4NOSCH2CONR2, (R = isopropyl (L1), isobutyl (L2) and Bu (L3) and octyl (L4)) were synthesized. The coordination chem. of this ligand system with UO2(NO3)2·6H2O was studied. All the ligands and complexes were characterized by CHN, IR and NMR techniques. Single crystal x-ray study of 2 shows that the U atom is surrounded by eight O atoms in a hexagonal-bi-pyramidal geometry. The ligand is bonded to metal through carbamoyl and N-oxide groups in a chelating fashion. Thermogravimetric studies of the complexes shows that the ligands are completely incinerable. Extraction studies of the actinides with ligand L4 show that this new bifunctional ligand has very good distribution ratio (D) values for tetravalent and hexavalent actinides ions from HNO3 medium.

Inorganica Chimica Acta published new progress about Actinides Role: PEP (Physical, Engineering or Chemical Process), PROC (Process). 5326-82-9 belongs to class amides-buliding-blocks, and the molecular formula is C10H20ClNO, Related Products of 5326-82-9.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Shirai, Kohji; Fujita, Toru; Tanaka, Michitaka; Fujii, Yuka; Shimomasuda, Masatsugu; Sakai, Soichi; Samukawa, Yoshishige published the artcile< Efficacy and Safety of Lipase Inhibitor Orlistat in Japanese with Excessive Visceral Fat Accumulation: 24-Week, Double-Blind, Randomized, Placebo-Controlled Study>, Recommanded Product: (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate, the main research area is orlistat lipase inhibitor efficacy safety visceral fat accumulation; Body weight; Double-blind; Efficacy; Japanese; Lipase inhibitor; Obesity; Orlistat; Placebo-controlled; Randomized; Safety; Visceral fat; Waist circumference.

Orlistat is an inhibitor of pancreatic lipase and is used as an anti-obesity drug in many countries. Therefore, this comparative, placebo-controlled, double-blind, randomized study aimed to evaluate the efficacy and safety of orlistat in Japanese participants with excessive visceral fat accumulation and without dyslipidemia, diabetes mellitus, and hypertension (“”metabolic diseases””). The study population included Japanese participants with excessive visceral fat accumulation (waist circumference ≥ 85 cm in males and ≥ 90 cm in females, which corresponds to a visceral fat area of 100 cm2) and without metabolic diseases. Both drugs were administered orally three times daily for 24 wk. Visceral fat area, s.c. fat area, waist circumference, body weight, body mass index, adverse reactions, laboratory tests, and blood pressure were regularly assessed. Visceral fat area, waist circumference, and body weight were significantly reduced in the orlistat group (mean ± standard error, – 13.50 ± 1.52%, – 2.51 ± 0.25%, and – 2.79 ± 0.30%, resp.) compared to the placebo group (- 5.45 ± 1.50%, – 1.55 ± 0.26%, and – 1.22 ± 0.28%, resp.) at the last assessment. Most adverse reactions were mild, and none were serious or severe. Orlistat administration reduced visceral fat area, waist circumference, and body weight in Japanese participants with excessive visceral fat and without metabolic diseases.

Advances in Therapy published new progress about Blood. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, Recommanded Product: (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Chao, Ariana M.; Wadden, Thomas A.; Berkowitz, Robert I.; Quigley, Kerry; Silvestry, Frank published the artcile< The risk of cardiovascular complications with current obesity drugs>, SDS of cas: 96829-58-2, the main research area is cardiovascular complication obesity drug pharmacotherapy; Cardiovascular; cardiovascular disease outcomes; obesity; pharmacotherapy; weight loss.

IntroductionObesity is associated with an increased risk of cardiovascular morbidity and mortality. Four medications are approved by the US Food and Drug Administration (FDA) for chronic weight management when used as an adjunct to a reduced-calorie diet and increased phys. activity in adults. These medications result in clin. significant weight losses, as well as improvements in some cardiometabolic risk factors. Areas coveredWe briefly review the history of anti-obesity medications (AOMs) as related to cardiovascular safety, and summarize weight loss efficacy and cardiovascular data from clin. trials of orlistat, phentermine/topiramate, naltrexone/bupropion, and liraglutide. Expert opinionCurrent AOMs approved for chronic weight management have generally favorable effects on some cardiometabolic parameters. However, the long-term safety of orlistat, phentermine/topiramate, and naltrexone/bupropion on cardiovascular morbidity and mortality have not been established. The cardiovascular safety of liraglutide, at a dose of 1.8 mg/d, was demonstrated in a large randomized outcomes trial in participants with type 2 diabetes.

Expert Opinion on Drug Safety published new progress about Antiobesity agents. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, SDS of cas: 96829-58-2.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Hall, Thomas H.; Adams, Hannah; Vyas, Vijyesh K.; Michael Chu, K. L.; Wills, Martin published the artcile< Asymmetric transfer hydrogenation of unsaturated ketones; factors influencing 1,4- vs 1,2- regio- and enantioselectivity, and alkene vs alkyne directing effects>, HPLC of Formula: 1192620-83-9, the main research area is unsaturated ketone enantioselective regioselective transfer hydrogenation chemoselectivity.

A detailed study has been completed on the asym. transfer hydrogenation (ATH) of a series of enones using Ru(II) catalysts. Electron-rich rings adjacent to the C=O group reduce the level of C=O reduction compared to C=C. The ATH reaction can readily discriminate between double and triple bonds adjacent to ketones, reducing the double bond but leaving a triple bond intact in the major product.

Tetrahedron published new progress about Allylic alcohols Role: BYP (Byproduct), PREP (Preparation) (chiral). 1192620-83-9 belongs to class amides-buliding-blocks, and the molecular formula is C30H31ClN2O2RuS, HPLC of Formula: 1192620-83-9.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Reany, Ofer; Blair, Stephanie; Kataky, Ritu; Parker, David published the artcile< Solution complexation behavior of 1,3,5-trioxycyclohexane based ligands and their evaluation as ionophores for Group IA/IIA metal cations>, Category: amides-buliding-blocks, the main research area is metal selectivity cyclohexanetriol solution complexation ligand conformation hydrogen bond.

A new series of cis,cis-cyclohexane-1,3,5-triol derivatives bearing one, two and three carbamoylalkyl substituents is reported. Ring interconversion promoted by intramol. hydrogen bonding is observed for the mono- and di-alkylated derivatives 3 and 4 depending on solvent polarity. 1H NMR parameters obtained have allowed the calculation of the Gibbs free energy change (ΔG 0) for the trioxa-equatorial ↔ trioxa-axial equilibrium, modeling the conformational changes promoted by ion binding. Selectivity coefficients have been assessed electrochem. using fixed interference methods for the detection of biol. relevant IA/IIA metal cations. Ionophore 4 displays a Nernstian response towards the detection of Ca2+ and logKCa,Mpot values are calculated Solution NMR studies confirm the formation of 1:1 complexes for 4 with lithium, while 2:1 complexation is favored with Ca2+. Detailed ES-MS studies performed under controlled conditions revealed similar trends in ion binding.

Perkin 2 published new progress about Alkali metal ions Role: PEP (Physical, Engineering or Chemical Process), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent). 5326-82-9 belongs to class amides-buliding-blocks, and the molecular formula is C10H20ClNO, Category: amides-buliding-blocks.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics