Novel Pt(II) and Pt(IV) complexes with 3-amino-5-methyl-5-(4-pyridyl)-2,4-imidazolidenedione. Synthesis, physicochemical, chemometric and pharmacological investigation |
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Authors: | Adriana Bakalova Hristo Varbanov Stancho Stanchev Darvin Ivanov |
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Affiliation: | a Department of Chemistry, Faculty of Pharmacy, Medical University - Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria b Department of Organic Chemistry, Faculty of Pharmacy, Medical University - Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria c Department of Pharmacology, Pharmacotherapy and Toxicology, Faculty of Pharmacy, Medical University - Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria |
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Abstract: | Platinum(II) and platinum(IV) complexes with 3-amino-5-methyl-5-(4-pyridyl)-2,4-imidazolidenedione (L) with general formulaе cis-PtL2X2]·nH2O and PtL2Cl4], where X = Cl−, Br−, I− and n = 2-4) were synthesized. The novel compounds were fully characterized by elemental analysis, IR, 1H, 13C, 195Pt NMR spectra, thermal analysis and molar conductivity. The geometry of Pt(II) complexes and of the organic ligand in the gas phase were optimized using the hybrid DFT method B3LYP with LANL2DZ and 6-31G** basis sets. Some physicochemical parameters as dipole moment, HOMO, LUMO energies and ESP charges were calculated. The comparison of the bond length and angles, obtained from the X-ray analysis and DFT calculations is realized. The cytotoxic effects of these complexes in human T-cell leukemia KE-37 (SKW-3) are reported. |
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Keywords: | Pt(II) and Pt(IV) complexes Cytotoxicity Hydantoins DFT study |
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