US EPA

1754818 

Journal Article 

Biomemic synthesis, crystal structure of molybdenum and tungsten chiral octahedral Complex(NH3CH2CH2CH2NH2)(2) [Mo0.4W0.6O2(C6H4O2)(2)] and its interaction with ATP by H-1, C-13, P-31 and, (NMR)-N-15 

Lu, XM; Deng, Y; Li, L; Jiang, L; Mao, XA; Ye, CH 

2005 

1 

Gaodeng Xuexiao Huaxue Xuebao / Chemical Journal of Chinese Universities
ISSN: 0251-0790 

26 

4 

611-616 

WOS:000228675700005 

A chiral octahedral molybdenum complex (NH3CH2CH2CH2NH2)(2)[Mo0.4W0.6O2 (C6H4O2)(2)] was obtained by the reaction of tetra-butyl. ammonium beta-octamolybdate with catechole and 1, 3-diaminopropane in the mixed solvent of CH3OH and CH3CN, characterized by X-ray diffraction, and its interaction with ATP was studied by H-1, C-13, P-31 and N-15 NMR. The crystal is orthorhombic with space group Pcan, a = 0.750 1(.2) nm, b = 2.399 4(7) nm, c = 1. 217 80) nm, Z = 4. The central metal ion exhibits distorted octahedral coordination with cis dioxo catechole. The H-1 and C-13 NMR studies reveal that the central metals were reduced to M ( V) and a little catecholato ligand was hydrolyzed when the complex is dissolved in D2O but were oxidized to M( W) and almost part of catecholato ligands dissociated with the central metals while it is mixed with ATP in D2O The shift of the H-1, C-13, P-31 and N-15 chemical shifts in adenine of ATP suggest that there is a coordinated interaction between central metal and the N atoms in adenine, and the coordination might be responsible for the anti-tumor and DNA cleavage activities of the title complex. 

molybdenum and tungsten chiral oitahedral complex; crystal structure; NMR; ATP