Month: October 2022

Meng, Fanfei; Mi, Pengcheng; Yu, Zhenwu; Wei, Wei; Gao, Li; Ren, Jinzhou; Li, Zhengming; Dai, Huanqin published the artcile< Design, synthesis and biological evaluation of 5-substituted sulfonylureas as antifungal agents targeting acetohydroxyacid synthase>, Recommanded Product: o-Chlorobenzenesulfonamide, the main research area is sulfonylurea preparation antifungal.

In this work, 36 target compounds I were designed and synthesized and several 5-substituted sulfonylureas I = [X =CH, N, R1 = Me, Cl, Br; R2 = CNOMe, CHCH2, CHO; R3 = H, Me, OMe; R4 = Me, OMe, etc.] possess much better antifungal activities than those of Fluconazole (FCZ) and amphotericin B (AMB). The most potent of these were I [X =CH, R1 = Br, R2 = CNOMe, R3 = R4 = OCH3], I [X =CH, R1 = Cl, R2 = CHCH2, R3 = R4 = OCH3] and I [X =CH, R1 = I, R2 = CHCH2, R3 = R4 = OCH3] with inhibition constants (Ki) determined in the range of 5.6∼9.6 nM for C. albicans AHAS and MICs(The MIC was determined as the drug concentration that inhibited fungal growth by >90% relative to the corresponding drug-free growth control) <0.05∼0.78μg/mL for C. albicans SC 5314, 17# and 2# (17# and 2# were two clin. isolated FCZ-resistant strains of C. albicans), S. cerevisiae SCXH1549 and C. parapsilosis ATCC22019 in YNB (yeast nitrogen base) media at 72 h post-treatment. Using the same media, the com. MICs of FCZ and AMB were only determined in the range of 0.25∼5μg/mL for the five strains at 24 h post-treatment. In order to elaborate the structure-activity relationship (SAR) a proposed double-pocket binding mode was simulated via mol. docking. The energy gap between the HOMOs and LUMOs of selected compounds showed that the 5-substituted groups of sulfonylureas I = [X =CH, N, R1 = Me, Cl, Br; R2 = CNOMe, CHCH2, CHO; R3 = H, Me, OMe; R4 = Me, OMe, etc.] had key impact on the antimicrobial bioactivity. Journal of Molecular Structure published new progress about Fungicides. 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Recommanded Product: o-Chlorobenzenesulfonamide.

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

Zheng, Ye; Martinez-Acosta, Jaime A.; Khimji, Mohammed; Barbosa, Luiz C. A.; Clarkson, Guy J.; Wills., Martin published the artcile< Asymmetric Transfer Hydrogenation of Aryl Heteroaryl Ketones using Noyori-Ikariya Catalysts>, Computed Properties of 1192620-83-9, the main research area is aryl heteroaryl alc preparation enantioselective; heteroaryl aryl ketone asym transfer hydrogenation Noyori Ikariya catalyst.

A range of ketones ArC(O)R (Ar = Ph, 2-bromophenyl, naphthalen-1-yl, etc.; R = furan-2-yl, thiophen-2-yl, 1-methyl-1H-imidazol-2-yl) flanked by a combination of an aromatic and a heterocyclic ring were reduced under asym. transfer hydrogenation (ATH) conditions. Using a range of [(arene)Ru(TsDPEN)Cl] precatalysts, including tethered derivatives, I, the reduction enantioselectivity was high (up to 99% ee) in cases where the aromatic ring contained an ortho-substituent. The enantioselectivity is influenced by a combination of steric and electronic factors which for the furan and thiophene series, follow literature precedents. In the case of the N-methylimidazole-containing ketones ArC(O)R (R = 1-methyl-1H-imidazol-2-yl), an unexpected switch in enantioselectivity took place upon variation of the opposing aromatic group. Pyrrole- containing ketones II (R1 = Me, tert-butoxycarbonyl) were resistant to reduction This study demonstrates the asym. transfer hydrogenation (ATH) of a range of hindered heterocyclic ketones, in high conversion and ee, using Noyori-Ikariya catalysts I.

ChemCatChem 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, Computed Properties of 1192620-83-9.

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

Shende, Vaishali S.; Raut, Amol B.; Raghav, Prathamesh; Kelkar, Ashutosh A.; Bhanage, Bhalchandra M. published the artcile< Room-Temperature Asymmetric Transfer Hydrogenation of Biomass-Derived Levulinic Acid to Optically Pure γ-Valerolactone Using a Ruthenium Catalyst>, Product Details of C30H31ClN2O2RuS, the main research area is asym transfer hydrogenation biomass levulinic acid valerolactone ruthenium catalyst.

This study presents a first report on ruthenium-catalyzed asym. transfer hydrogenation (ATH) of levulinic acid (LA) to chiral γ-valerolactone (GVL). ATH of LA has been explored with Noyori’s chiral catalyst (Ru-TsDPEN) in methanol solvent. Efficacy of ATH reaction of LA was investigated under different reactions conditions such as temperature, catalyst, and hydrogen donor concentration The effect of various organic tertiary bases along with formic acid (FA) as a hydrogen donor was studied, and N-methylpiperidine with FA (1:1 molar ratio) was revealed as an efficient hydrogen donor for ATH of LA to GVL furnishing chiral GVL with complete conversion and 93% enantiomeric excess (ee). This operationally simple and mild ATH protocol was tested for practical applicability of ATH of LA obtained from biomass waste (rice husk and wheat straw) and furnished chiral GVL with 82% ee.

ACS Omega published new progress about Biomass. 1192620-83-9 belongs to class amides-buliding-blocks, and the molecular formula is C30H31ClN2O2RuS, Product Details of C30H31ClN2O2RuS.

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

Callingham, Michael; Blum, Francesca; Pave, Gregoire published the artcile< One-Step Synthesis of 2-Chloropyrimidin-4-ol Derivatives: An Unusual Reactivity of Thiophosgene>, HPLC of Formula: 5004-88-6, the main research area is quinazoline oxazinone fused pyrimidine bicycle preparation; aminoamide reaction thiophosgene.

A novel, high-yielding, one-step synthesis of 2-chloroquinazolin-4-ols and analogous bicycles from 2-aminoamides using thiophosgene is described. The scope of the reaction includes aminothioamides, amino acids, and fused heterocycle derivatives, furnishing quinazolines, oxazinones, and substituted fused pyrimidine bicycles, resp. On the basis of observed results with substituted analogs, a mechanism for this transformation is thought to occur via an isothiocyanate intermediate followed by an unexpected chemoselective reaction of thiophosgene on the thiol intermediate.

Organic Letters published new progress about Amino amides Role: RCT (Reactant), RACT (Reactant or Reagent). 5004-88-6 belongs to class amides-buliding-blocks, and the molecular formula is C9H12N2O3, HPLC of Formula: 5004-88-6.

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

Wang, Pingyuan; Luchowska-Stanska, Urszula; van Basten, Boy; Chen, Haiying; Liu, Zhiqing; Wiejak, Jolanta; Whelan, Padraic; Morgan, David; Lochhead, Emma; Barker, Graeme; Rehmann, Holger; Yarwood, Stephen J.; Zhou, Jia published the artcile< Synthesis and Biochemical Evaluation of Noncyclic Nucleotide Exchange Proteins Directly Activated by cAMP 1 (EPAC1) Regulators>, Recommanded Product: 3-Fluorobenzenesulfonamide, the main research area is noncyclic nucleotide preparation cAMP EPAC agonist SAR.

EPAC plays a central role in various biol. functions, and activation of the EPAC1 protein has shown potential benefits for the treatment of various human diseases. Herein, the synthesis and biochem. evaluation of a series of non-cyclic nucleotide EPAC1 activators is reported. Several potent EPAC1 binders were identified, e.g., I, which promote EPAC1 GEF activity in vitro. These agonists can also activate EPAC1 protein in cells, where they exhibit excellent selectivity towards EPAC over PKA and GPCRs. Moreover, four compounds exhibited improved selectivity towards activation of EPAC1 over EPAC2 in cells. Of these, I was found to robustly inhibit IL-6-activated STAT3 and subsequent induction of the pro-inflammatory VCAM1 cell adhesion protein. These novel EPAC1 activators may therefore act as useful pharmacol. tools for elucidation of EPAC function as well as promising drug leads for the treatment of relevant human diseases.

Journal of Medicinal Chemistry published new progress about cAMP receptor proteins Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Recommanded Product: 3-Fluorobenzenesulfonamide.

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

Liu, Peng; Yang, Jiazhi; Ai, Yao; Hao, Shushu; Chen, Xiaozhong; Li, Feng published the artcile< Recyclable covalent triazine framework-supported iridium catalyst for the N-methylation of amines with methanol in the presence of carbonate>, Formula: C6H6ClNO2S, the main research area is amine methyl preparation green chem; methanol amine methylation covalent triazine framework iridium catalyst; methyl sulfonamide preparation green chem; sulfonamide methanol methylation covalent triazine framework iridium catalyst.

An iridium complex Cp*Ir@CTF, which is synthesized by the coordinative immobilization of [Cp*IrCl2]2 on a functionalized covalent triazine framework (CTF), was found to be a general and highly efficient catalyst for the N-methylation of amines RNH2 [R = octyl, adamantan-1-yl, naphthalen-2-yl, 1,3-benzoxazol-2-yl, etc.], 1,2,3,4-tetrahydroisoquinoline and 1,3-bis(4-piperidyl)propane with methanol in the presence of carbonate. Under environmentally benign conditions, a variety of desirable products RNHCH3, RN(CH3)2, 2-methyl-1,2,3,4-tetrahydroisoquinoline and 1-methyl-4-(3-(1-methylpiperidin-4-yl)propyl)piperidine/R1S(O)2NH(CH3) (R1 = t-Bu, cyclopropyl, 4-chlorophenyl, thiophen-2-yl, etc.) were obtained in high yields with complete selectivities and functional group friendliness. Furthermore, the synthesized catalyst Cp*Ir@CTF could be recycled by simple filtration without obvious loss of catalytic activity after sixth cycle. Notably, this research exhibited the potential of covalent triazine framework-supported transition metal catalyst Cp*Ir@CTF for hydrogen autotransfer process.

Journal of Catalysis published new progress about Amines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Formula: C6H6ClNO2S.

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

Deb, S. B.; Gamare, J. S.; Kannan, S.; Drew, M. G. B. published the artcile< Uranyl(VI) and lanthanum(III) thio-diglycolamides complexes: Synthesis and structural studies involving nitrate complexation>, Application of C10H20ClNO, the main research area is thiodiglycolamide preparation complexation uranyl lanthanum nitrate; crystal structure uranyl lanthanum thiodiglycolamide nitrato complex; solvent extraction uranyl cation nitric acid medium thiodiglycolamide ligand.

New tri-functional ligands R2NCOCH2SCH2CONR2 (R = iso-Pr, Bu or iso-butyl) were prepared and characterized. The coordination chem. of these ligands with uranyl and lanthanum(III) nitrates was studied by using the IR, 1H NMR and elemental anal. methods. Structures for [UO2(NO3)2(iPr2NCOCH2SCH2CONiPr2)], [UO2(NO3)2(iBu2NCOCH2SCH2CONiBu2)], [La(NO3)3(iPr2NCOCH2SCH2CONiPr2)2] and [La(NO3)3(iBu2NCOCH2SCH2CONiBu2)2] were determined by single crystal x-ray diffraction. These structures show that the ligand acts as a bidentate chelating ligand and bonds through both the carbamoyl groups to the uranyl and La(III) nitrate groups. Solvent extraction studies show that the ligand can extract the uranyl ion from the HNO3 medium but does not show any ability to extract the Am(III) ion.

Polyhedron published new progress about Crystal structure. 5326-82-9 belongs to class amides-buliding-blocks, and the molecular formula is C10H20ClNO, Application of C10H20ClNO.

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

Winters, Michael P.; Crysler, Carl; Subasinghe, Nalin; Ryan, Declan; Leong, Lynette; Zhao, Shuyuan; Donatelli, Robert; Yurkow, Edward; Mazzulla, Marie; Boczon, Lisa; Manthey, Carl L.; Molloy, Christopher; Raymond, Holly; Murray, Lynne; McAlonan, Laura; Tomczuk, Bruce published the artcile< Carboxylic acid bioisosteres acylsulfonamides, acylsulfamides, and sulfonylureas as novel antagonists of the CXCR2 receptor>, Application of C4H10N2O3S, the main research area is arylindolebutanamide alkylsulfonyl arylsulfonyl aminosulfonyl preparation CXCR2 antagonist.

A series of novel acylsulfonamide, acylsulfamide, and sulfonylurea bioisosteres of carboxylic acids were prepared as CXCR2 antagonists. Structure-activity relationships are reported for these series. The potent orally bioavailable inhibitor I had excellent PK properties and was active in a lung injury model in hyperoxia-exposed newborn rats.

Bioorganic & Medicinal Chemistry Letters published new progress about CXC chemokine receptor CXCR2 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 25999-04-6 belongs to class amides-buliding-blocks, and the molecular formula is C4H10N2O3S, Application of C4H10N2O3S.

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

Rohokale, Rajendra S.; Kalshetti, Rupali G.; Ramana, Chepuri V. published the artcile< Iridium(III)-Catalyzed Alkynylation of 2-(Hetero)arylquinazolin-4-one Scaffolds via C-H Bond Activation>, Product Details of C7H7BrN2O, the main research area is alkynylarylquinazolinone derivative preparation; arylquinazolinone ethynylbenziodoxolone alkynylation iridium catalyst.

The directed C-H alkynylation of 2-(hetero)arylquinazolin-4-ones has been explored with the ethynylbenziodoxolone reagent TIPS-EBX employing an Ir(III) catalyst. Complementary conditions for either monoalkynylation or dialkynylation have been developed. Also demonstrated is the broad scope of this reaction and the compatibility of various functional groups such as -F, -Cl, -Br, -CF3, -OMe, -NO2, and alkyl, etc.

Journal of Organic Chemistry published new progress about Alkynylation. 112253-70-0 belongs to class amides-buliding-blocks, and the molecular formula is C7H7BrN2O, Product Details of C7H7BrN2O.

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

Gruden, Stefan; Forslund, Anders; Alderborn, Goran; Soderhall, Arvid; Hellstrom, Per M.; Holmback, Ulf published the artcile< Safety of a Novel Weight Loss Combination Product Containing Orlistat and Acarbose>, COA of Formula: C29H53NO5, the main research area is obesity orlistat acarbose combination weight loss; fixed-dose combination; gastrointestinal tolerability; modified release; obesity treatment; weight loss product.

The safety of a novel modified-release oral capsule with orlistat and acarbose (MR-OA) was investigated in 67 obese middle-aged White men with a body mass index of 32 to 40 kg/m2 or 30 to 32 kg/m2 plus waist circumference >102 cm. The purpose of this investigation was to compare MR-OA with the existing conventional orlistat regarding systemic safety defined as plasma orlistat concentration at the end of the treatment period of 14 days. Participants took the MR-OA fixed-dose combination formulation 3 times a day together with a major meal. Three different doses of MR-OA were evaluated-60/20, 90/30, and 120/40 (mg orlistat/mg acarbose)-as well as 1 reference group who received the conventional orlistat, Xenical, with 120 mg of orlistat. Blood plasma was sampled on days 1 and 14. The orlistat plasma concentrations of the MR-OA dose showed a delayed absorption and were lower compared with conventional orlistat at the end of the study. All doses were safe and well tolerated without any unexpected adverse events and no serious adverse events. The delay in the rise of orlistat plasma concentration indicates that the modified-release properties of the MR-OA formulation are effective. The systemic exposure of orlistat resulting from MR-OA was similar, albeit a bit lower than the conventional orlistat with 120 mg of orlistat. We can therefore assume that the safety profile regarding the orlistat moiety of MR-OA is comparable to the conventional orlistat and a promising approach for weight control in obese patients. Further clin. evaluation is underway.

Clinical Pharmacology in Drug Development published new progress about Body mass index. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, COA of Formula: C29H53NO5.

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