title: Synthetic, spectral, magnetic and in vitro cytotoxic activity studies of cobalt(II) complexes with cytokinin derivatives: X-ray structure of 6-(3-methoxybenzylamino)purinium chloride monohydrate.
abstract: Cobalt(II) complexes with 6-(2-hydroxybenzylamino)purine (HL1), 6-(2-methoxybenzylamino)purine (HL2), 6-(3-methoxybenzylamino)purine (HL3) and 6-(4-methoxybenzylamino)purine (HL4) of the composition [Co(L1)Cl(H2O)2].H2O (1), [Co(L2)Cl(H2O)2] (2), [Co(L3)2(H2O)2].2H2O (3), [Co(L4)2(H2O)2].2H2O (4) have been synthesized. The compounds have been characterized by elemental analysis, FT-IR, ES+ MS (electrospray mass spectra in the positive ion mode) and electronic spectroscopies, magnetic and conductivity data as tetrahedral high-spin cobalt(II) complexes. The thermal stability of the complexes has also been studied. The cytotoxicity of the complexes (1-4) was determined by a Calcein acetoxymethyl (AM) assay. Human malignant melanoma (G361), human chronic myelogenous erythroleukemia (K562), human osteogenic sarcoma (HOS) and human breast adenocarcinoma (MCF7) cell lines were used for the testing. The molecular structure of 6-(3-methoxybenzylamino)purinium chloride monohydrate, H2L3+.Cl.H2O, i.e. a protonated form of the free HL(3) ligand, has been determined by a single crystal X-ray analysis. The geometry optimisation and infrared frequencies calculations of HL1, HL2, and H2L3+ and H2L4+ were performed using density-functional theory (DFT) calculations at the B3LYP/6-31G* level of the theory. The geometry of complex (1) was optimised at the same level of the theory.
authors.affiliation: Department of Inorganic Chemistry, Palacký University, Krízkovského 10, CZ-771 47 Olomouc, Czech Republic. trav@aix.upol.cz
authors.forename: Zdenek
authors.initials: Z
authors.lastname: Trávnícek
authors.forename: Alena
authors.initials: A
authors.lastname: Klanicová
authors.forename: Igor
authors.initials: I
authors.lastname: Popa
authors.forename: Jakub
authors.initials: J
authors.lastname: Rolcík
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000494:pharmacology; D003035:Cobalt / Q000737:chemistry* / Q000494:pharmacology; D018360:Crystallography, X-Ray / Q000379:methods; D003583:Cytokinins / Q000737:chemistry*; D004578:Electron Spin Resonance Spectroscopy / Q000379:methods; D005452:Fluoresceins; D006801:Humans; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000494:pharmacology; D011687:Purines / Q000737:chemistry* / Q000494:pharmacology; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods; D013696:Temperature; D014407:Tumor Cells, Cultured
chemical_list: C426264:6-(3-chlorobenzylamino)purine; D000970:Antineoplastic Agents; D003583:Cytokinins; D005452:Fluoresceins; D009942:Organometallic Compounds; D011687:Purines; D003035:Cobalt