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

0109760 - UEB-Q 20043102 RIV DK eng J - Journal Article
Trávníček, Zdeněk - Kryštof, Vladimír
6-benzylamino-2-(2-hydroxyethylamino)-9-methylpurine-1,7-diium bis(perchlorate) monohydrate.
[6-benzylamino-2-(2-hydroxyethylamino)-9-methylpurine-1,7-diium bis(perchlorate) monohydrate.]
Acta Crystallographica Section E-Structure Reports Online. Roč. 60, č. 12 (2004), o2324-o2327. ISSN 1600-5368. E-ISSN 2056-9890
R&D Projects: GA ČR GP204/03/D231
Institutional research plan: CEZ:AV0Z5038910
Keywords : CYCLIN-DEPENDENT KINASES * X-RAY-STRUCTURE * CRYSTAL-STRUCTURES
Subject RIV: CE - Biochemistry
Impact factor: 0.491, year: 2004

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.

6-benzylamino-2-(2-hydroxyethylamino)-9-methylpurine-1,7-diium bis(perchlorate) monohydrate.
Permanent Link: http://hdl.handle.net/11104/0016868