Synthesis, Structural, DFT, and Cytotoxicity Studies of CuII and NiII Complexes with 3-Aminopyrazole Derivatives

Template synthesis of N,N 0-bis(4-acetyl-5-methylpyrazole-3-yl)formamidine (ampf) was performed starting from 4-acetyl-3- amino-5-methylpyrazole (aamp) andCH(OC2H5)3 in methanol in the presence of CuCl2, Cu(NO3)2, orNi(NO3)2. The ligand was isolated in coordinated form as [Cu(ampf )Cl2], [Cu(ampf )(MeOH)(NO3)2]MeOH, and [Ni(ampf )(MeOH)2(NO3)]NO3 correspondingly. The compounds were characterized by elemental analysis, Fourier-transform IRand electronic spectroscopy, thermal analysis, single-crystal X-ray diffraction, and quantumchemical (density functional theory) calculations. The density functional theory calculations provided information on the metal¿ligand interactions in the complexes and assisted the assignment of the FT-IR spectra. The antiproliferative activity of the complexes and the ligand precursor, aamp, was tested against human myelogenous leukaemia K562, colon adenocarcinoma HT29, and cervix carcinoma HeLa.

HOLLÓ Berta;  LEOVAC Vukadin M.;  JOVANOVIC Ljiljana S.;  DIVJAKOVIC Vladimir;  MÉSZÁROS SZÉCSÉNYI Katalin;  BOMBICZ Petra;  KOVACS Attila;  BOGDANOVIC Gordana;  KOJIC Vesna;  JOKSOVIC Milan D.; 

2010-12-20

CSIRO PUBLISHING

JRC62362

0004-9425,   

http://www.publish.csiro.au/paper/CH10210.htm,    https://publications.jrc.ec.europa.eu/repository/handle/JRC62362,   

10.1071/CH10210,