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B. Holló, V. Leovac, P. Bombicz, A. Kovács, L. Jovanović, G. Bogdanovic, V. Kojić, V. Divjaković, M. Joksović, K. M. Szécsényi
8 2. 12. 2010.

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

Template synthesis of N,N′-bis(4-acetyl-5-methylpyrazole-3-yl)formamidine (ampf) was performed starting from 4-acetyl-3-amino-5-methylpyrazole (aamp) and CH(OC2H5)3 in methanol in the presence of CuCl2, Cu(NO3)2, or Ni(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 IR and electronic spectroscopy, thermal analysis, single-crystal X-ray diffraction, and quantum chemical (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.


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