Design, Synthesis, and Antitumor Activity of New N4-Alkyl-N2-Phenyl-Pyrrolo[3,2-d]Pyrimidine-2,4-Diamine Derivatives as CDK6 Inhibitors

In this study, a series of new N4-alkyl-N2-phenyl-pyrrolo[3,2-d]pyrimidine-2,4-diamine derivatives has been designed and synthesized. The anti-proliferative activities of these compounds were evaluated against human breast cancer cells and human gastric cancer cells. The CDK6 inhibitory activities of these compounds were tested as well. The most potent compound (IVj) showed super antitumor activities than the positive control palbociclib and good CDK6 inhibitory activity. The probable binding model of (IVj) with CDK6 was simulated by molecular docking.