Lee, Jae Chul; Hong, Kwon Ho; Becker, Andreas; Tash, Joseph S.; Schonbrunn, Ernst; Georg, Gunda I. published the artcile< Tetrahydroindazole inhibitors of CDK2/cyclin complexes>, Electric Literature of 112-63-0, the main research area is tetrahydroindazole preparation antiproliferative CDK2 cyclin inhibitor SAR mol docking; CDK2; Cyclins; Kinase inhibitors; Tetrahydroindazoles.
Over 50 tetrahydroindazoles I [R = 2-pyridyl, thiazol-2-yl, pyrimidin-4-yl, etc.] were synthesized after I [R = 2-pyridyl] was identified as a hit compound in a high throughput screen for inhibition of CDK2 in complex with cyclin A. The activity of the most promising analogs was evaluated by inhibition of CDK2 enzyme complexes with various cyclins. Analogs I [R = thiazol-2-yl, pyrimidin-4-yl] showed 3-fold better binding affinity for CDK2 and 2- to 10-fold improved inhibitory activity against CDK2/cyclin A1, E, and O compared to screening hit 3. The data from the enzyme and binding assays indicate that the binding of the analogs to a CDK2/cyclin complex is favored over binding to free CDK2. Computational anal. was used to predict a potential binding site at the CDK2/cyclin E1 interface.
European Journal of Medicinal Chemistry published new progress about Antiproliferative agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.
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