CGP-53716

A novel series of N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-yl)amino)arylamides I [Ar = Ph, 2-pyridyl, 2-pyrazinyl, etc.] was synthesized via peptide coupling reaction of (pyridinyl)(pyrimidinyl)benzene-diamine with carboxylic acids and characterized by IR, HRMS, and NMR.Docking study of compounds I [Ar = 4-FC₆H₄, 2-quinolinyl] exhibited H-bonding interacts with Met769 into ATP binding site of EGFR-TK which showed similar binding mode to Lapitinib (PDB code: 1M17).Results indicated the ability to potent and selective inhibitors of the Epidermal Growth Factor Receptor tyrosine kinase (EGFR-TK).The mol. electrostatic potential (MEP), frontier MOs (FMOs) and HOMO-LUMO energy gap of the title compounds I were investigated by using the B3LYP/6-31G method.All the synthesized compounds I were screened for in vitro anti-inflammatory activity.