82481-33-2Relevant academic research and scientific papers
Novel 1,3,4-oxadiazole Compound and Pharmaceutical Composition For Lowering Blood Glucose Comprising The Same
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, (2019/10/22)
The present invention provides a 1,3,4-oxadiazole compound represented by chemical formula 1 or a pharmaceutically acceptable salt thereof, wherein in chemical formula 1, the R is a methoxy group, the X is a hydrogen, methoxy or fluoro group, and the n an
Facile synthesis, biological evaluation and molecular docking studies of novel substituted azole derivatives
Rafiq, Muhammad,Saleem, Muhammad,Jabeen, Farukh,Hanif, Muhammad,Seo, Sung-Yum,Kang, Sung Kwon,Lee, Ki Hwan
, p. 177 - 191 (2017/03/15)
In this study, we synthesized the series of novel azole derivatives and evaluated for enzyme inhibition assays, corresponding kinetic analysis and molecular modeling. Among the investigated bioassays, the oxadiazole derivatives 4a-k were found potent α-glucosidase inhibitors while the Schiff base derivatives 7a-k exhibited considerable potential toward urease inhibition. The inhibition kinetics for the most active compounds were analyzed by the Lineweaver–Burk plots to investigate the possible binding modes of the synthesized compounds toward the tested proteins. Moreover, the detailed docking studies were performed on the synthesized library of 4a-k and 7a-k to study the molecular interaction and binding mode in the active site of the modeled yeast α-glucosidase and Jack Bean Urease, respectively. It could be inferred from docking results that theoretical studies are in close agreement to that of the experimental results. The structure of one of the compound 7k was characterized by the single crystal X-ray diffraction analysis in order to find out the predominant conformation of the molecules.
Investigations into the Mechanism of the Action of Alkali in Methanol on 3,6-Dibenzyl-s-tetrazines and their 1,4-Dihydro-derivatives: the Role of s-Tetrazines as Hydride Acceptors and an X-Ray Determination of the Structure of 3,6-Bis(4-chlorobenzyl)-1,4-dihydro-s-tetrazine
Hunter, Daniel,Neilson, Douglas G.,Weakley, Timothy J.R.
, p. 1165 - 1170 (2007/10/02)
Evidence is presented for the mechanism of the reaction of potassium hydroxide with 3,6-dibenzyl-s-tetrazines in which some tetrazine molecules act as hydride acceptors to become dihydro-derivatives which, in turn, react with alkali in a competing reaction to form the corresponding 1,3,4-oxadiazoles.The known action of alkali on 3,6-dibenzyl-1,4-dihydro-s-tetrazines to form 1,3,4-oxadiazoles has been shown to require the presence of an oxidising agent and tetrazine can play this role.The structures of the dihydro-derivatives of s-tetrazines have been in doubt, being called 1,2- and/or 1,4-compounds almost at random, but an X-ray determination of the structure of the dihydro-derivative of 3,6-bis(4-chlorobenzyl)-s-tetrazine has shown conclusively that it exists as 1,4-dihydro-compound.
