Synthesis, characterization and in vitro cytotoxicity of Co(II) complexes with N6-substituted adenine derivatives: X-ray structures of 6-(4-chlorobenzylamino)purin-di-ium diperchlorate dihydrate and [Co6(μ-L6)4Cl8(DMSO)10] · 4DMSO

Klanicová, A.; Trávníček, Zdeněk; Popa, Igor; Čajan, Michal; Doležal, Karel
POLYHEDRON 25 [6]: 1421-1432, 2006

Klíčová slova: Cobalt(II) complexes; X-ray structures; Cytokinins
Abstrakt: Cobalt(II) complexes of the composition [Co(L1)Cl(H2O)2] · H2O (1), [Co(L2)Cl(H2O)2] · 2H2O (2), [Co(L3)Cl(H2O)2] · H2O (3), [Co(L4)Cl(H2O)2] · H2O (4), [Co(L5)Cl(H2O)2] · H2O (5) and [Co(L6)Cl(H2O)2] · H2O (6), where HL1 = 6-(3-chlorobenzylamino)purine, HL2 = 6-(4-chlorobenzylamino)purine, HL3 = 6-(2,3-dimethoxybenzylamino)purine, HL4 = 6-(3,4-dimethoxybenzylamino)purine, HL5 = 6-(3-fluorobenzylamino)purine and HL6 = 6-(4-fluorobenzylamino)purine, have been prepared. The compounds have been characterized by elemental analyses, ES+ mass, UV–Vis, IR and NMR spectroscopies, magnetic measurements, molar conductances and thermogravimetric analysis as mononuclear tetrahedral high-spin cobalt(II) complexes. In vitro cytotoxicities of the complexes were tested by a Calcein AM assay against the following human tumour cell lines: malignant melanoma (G361), chronic myelogenous erythroleukemia (K562), osteogenic sarcoma (HOS) and breast adenocarcinoma (MCF7). The molecular structures of 6-(4-chlorobenzylamino)purin-di-ium diperchlorate dihydrate, [H2+L2](ClO4)2 · 2H2O, and a hexanuclear Co(II) complex, [Co6(μ-L6)4Cl8(DMSO)10] · 4DMSO (7), have been determined by a single crystal X-ray analysis. To elucidate the manner of the organic ligand coordination to cobalt, the geometry of the complex 2 was optimized using DFT calculations at the B3LYP/6-311+G* level of the theory.
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