Hydrolysis Process of the Anticancer Agents Novel Non-classical trans-Platinum（Ⅱ） with Aliphatic Amines

The hydrolysis process of the anticancer agents novel non-classical trans- platinum(Ⅱ ) with aliphatic amines and the influence of solvent models therein have been studied by using hybrid density functional theory (B3LYP). In this study, the stepwise hydrolysis, trans- PtCl2(Am)(isopropylamine)] 2H2O → trans-Pt(Am)(isopropylamine)(OH2)2]2 2Cl-, was explored. Implicit solvent effects were incorporated through polarized continuum models. The stationary points on the potential energy surfaces for the first and second hydrolysis steps, proceeding via a general SN2 pathway, were fully optimized and characterized. It was found that the first hydrolysis reaction is easier than the second one and the hydrolysis of trans-PtCl2- (isopropylamine)2] is the easiest in our studying systems. The result can assist in under-tanding the hydrolysis mechanism of trans-PtCl2(Am)(isopropylamine)] and designing novel Pt-based anticancer drugs.