Center for Drug DiscoVery & Design and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, 294 Taiyuan Road, Shanghai 200031, P. R. China, Chemical Process & Biotechnology Department, Singapore Polytechnic, 500 DoVer Road, Singapore 139651, Department of Structural Biology, Weizmann Institute of S...

A quantitative structure activity relationship (QSAR) study on tetrasubstituted pyrazoles as high affinity ligands for the estrogen receptor (both ERα and ERβ subtypes) have been performed using various combinations of hydrophobic (MlogP), steric (MR) and electronic (Xeq) descriptors. The regression analysis of the data has shown better results in multiparametric regressions upon introduction o...

Oxime-directed catalytic asymmetric hydroboration is diverted to catalytic asymmetric hydrogenation (CAH) upon the addition of a proton source, such as MeOH, or by running the reaction under a hydrogen atmosphere. A borane (e.g., pinacolborane) is required to promote CAH. Tri- and tetrasubstituted alkenes, including the challenging all-alkyl tetrasubstituted alkenes, undergo CAH with enantiomer...

N-aryl imidazoles play an important role as structural and functional units in many natural products and biologically active compounds. Herein, we report a photocatalytic route for the C-N cross-coupling reactions over a Cu/graphene catalyst, which can effectively catalyze N-arylation of imidazole and phenylboronic acid, and achieve a turnover frequency of 25.4 h(-1) at 25°C and the irradiation...

A variety of heteroaromatic compounds, such as substituted pyridines, pyrazoles, indoles, 2-substituted imidazoles, 2-substituted imidazoles, 2-arylbenzazoles and pyrimidin-2(1H)-ones are synthesized by oxidative aromatization using the activated carbon and molecular oxygen system. Mechanistic study focused on the role of activated carbon in the synthesis of 2-arylbenzazoles is also discussed. ...

An enantioselective Friedel-Crafts alkylation with alpha,beta-unsaturated 2-acyl imidazoles and electron-rich aromatic nucleophiles catalyzed by bis(oxazolinyl)pyridine-scandium(III) triflate complexes has been accomplished. These alpha,beta-unsaturated 2-acyl imidazoles are effective electrophiles for the Friedel-Crafts reaction. The resulting adduct 2-acyl imidazole is easily converted to ami...

The microwave assisted and solvent free synthesis of title compounds is described in this protocol. Ten new aryl imidazoles, which are incorporated with the chemotherapeutic pharmacophores, have been synthesized by adopting one pot multicomponent reaction. First, primary aromatic or heteryl amine has been condensed with aryl or heteryl aldehydes to afford corresponding Schiff base. The Schiff b...

Studies with C-2-labelled glycine and alanine in model systems containing 2,3-butanedione, glyceraldehyde or glyoxal have indicated that imidazoles and oxazoles can be formed from a-dicarbonyl compounds through Strecker reaction and subsequent formation of a-amino carbonyl reactive intermediates. These intermediates can react with any aldehyde in the reaction mixture to form an imine which in t...