Vulpetti, Anna; Casale, Elena; Roletto, Fulvia; Amici, Raffaella; Villa, Manuela; Pevarello, Paolo published the artcile< Structure-based drug design to the discovery of new 2-aminothiazole CDK2 inhibitors>, Application of C6H10N2S, the main research area is CDK2 inhibitor aminothiazole drug design crystal structure.
N-(5-Bromo-1,3-thiazol-2-yl)butanamide (compound 1) was found active (IC50 = 808 nM) in a high throughput screening (HTS) for CDK2 inhibitors. By exploiting crystal structures of several complexes between CDK2 and inhibitors and applying structure-based drug design (SBDD), we rapidly discovered a very potent and selective CDK2 inhibitor 4-[(5-isopropyl-1,3-thiazol-2-yl)amino] benzenesulfonamide (compound 4, IC50 = 20 nM). The syntheses, structure-based analog design, kinases inhibition data and x-ray crystallog. structures of CDK2/inhibitor complexes are reported.
Journal of Molecular Graphics & Modelling published new progress about Crystal structure. 101080-15-3 belongs to class thiazole, and the molecular formula is C6H10N2S, Application of C6H10N2S.
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica