Synthesis Of N-acyl/sulfuryl Pyrazoles And Calculation Of TheirActivity Of Inhibition To COX-2

Pyrazoles have a widespread occurrence as substructures in a large variety ofcompounds with important biological activities and pharmacological properties. Theycan be used in the synthesis of a number of biologically active compounds. Here wewill report some research work about the synthesis of N-acyl/sulfuryl pyrazolederivatives and calculation of their activity of inhibition to COX-2.Hydrazine hydrate was used to prepare acetylhydrazine, p-trifluorobenzoic acidhydrazide, benzoic acid hydrazide, p-fluorobenzoic acid hydrazide, p-nitro benzoicacid hydrazide, nicotinic acid hydrazide, hydrazine carboxylic acid methyl ester,benzenesulfonyl hydrazine, p-methylbenzenesulfonyl hydrazine and p-chlorobenzenesulfonyl hydrazine. p-nitrobenzenesulfonyl hydrazine. Nitriles and esters were used toprepareβ-Cyanoketones.5-aminopyrazoles were obtained via the condensation ofβ-Cyanoketones andhydrazide/sulfonhydrazide with the subsequent cyclization. The overall high yieldwas obtained via an acid-catalyzed with a successive based-catalyzed one-pot reaction,which was first reported. The conditions of the reaction were investigated, thenmechanism of the reaction was also discussed. The configuration of the compound12dwasconfirmedbytheanalysisoftheX-raycrystal.The pharmacophore model of COX-2 was constructed by Catalyst sofrware.Some of the target compounds accorded well with the model. Then these compoundscan be used for the test and screening of inhibition of COX-2. The modification ofthese compounds may lead to discovery of novel bioactive compounds.