6-benzylamino-2-(2-hydroxyethylamino)-9-methylpurine-1,7-diium bis(perchlorate) monohydrate

The title compound, C15H20N6O2+ . 2ClO(4)(-).H2O, belongs to a group of cytokinin-derived compounds. It has been found that some cytokinin derivatives, e. g. 2,6,9-trisubstituted purine derivatives, behave as potent inhibitors of cyclin-dependent kinases (CDKs) and show anticancer activity. Olomoucine, i.e. the title cation in its neutral form, represents one of the first CDK specific inhibitors that selectively blocks CDK1, CDK2 and CDK5 kinases at micromolar concentrations. The asymmetric unit of the title compound consists of the diprotonated cation, two perchlorate anions and a water molecule of crystallization. The cation contains nearly planar benzene and purine ring systems, the dihedral angle between them being 46.77 (6) degrees. The crystal structure is stabilized by N-purine - H ... O-water/O-hydroxy, N-amine - H ... O-water/O-hydroxy, O-water - H ... O-perchlorate and O-hydroxy - H ... O-perchlorate hydrogen bonds.