Liang, Hanzhi; Zhu, Yue; Zhao, Zhiyuan; Du, Jintong; Yang, Xinying; Fang, Hao; Hou, Xuben published the artcile< Structure-based design of 2-aminopurine derivatives as CDK2 inhibitors for triple-negative breast cancer>, Recommanded Product: 4-Bromobenzylamine, the main research area is triple neg breast cancer cyclin dependent kinase 2 2aminopurine; CDK2 inhibitor; anticancer; purine; structure-based drug design; triple-negative breast cancer.
Cyclin-dependent kinase 2 (CDK2) regulates the progression of the cell cycle and is critically associated with tumor growth. Selective CDK2 inhibition provides a potential therapeutic benefit against certain tumors. Purines and related heterocycle (e.g., R-Roscovitine) are important scaffolds in the development of CDK inhibitors. Herein, we designed a new series of 2-aminopurine derivatives based on the fragment-centric pocket mapping anal. of CDK2 crystal structure. Our results indicated that the introduction of polar substitution at the C-6 position of purine would be beneficial for CDK2 inhibition. Among them, compound 11I showed good CDK2 inhibitory activity (IC50 = 19 nM) and possessed good selectivity against other CDKs. Further in vitro tests indicated that compound 11l possesses anti-proliferation activity in triple-neg. breast cancer (TNBC) cells. Moreover, mol. dynamics simulation suggested the favorable binding mode of compound 11l, which may serve as a new lead compound for the future development of CDK2 selective inhibitors.
Frontiers in Pharmacology published new progress about Antiproliferative agents. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Recommanded Product: 4-Bromobenzylamine.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary