RESUMO
Theoretical molecular structures of the complexes [PdCl(2)(HmPz)(2)] (1) and [PdCl(2)(HIPz)(2)] (2) (HmPz = 4-methylpyrazole; HIPz = 4-iodopyrazole) were studied using B3LYP/DFT method. The new complex 2 and the complex 1 were synthesized and characterized by elemental analysis and IR spectroscopy. The calculated bond distances and angles showed that both compounds exhibited a slightly distorted square planar coordination environment around the palladium center. The theoretical IR spectra of C(s) symmetry (electronic state 1A') of the complexes agree well with the experimental data.
Assuntos
Complexos de Coordenação/química , Modelos Moleculares , Paládio/química , Pirazóis/química , Fomepizol , Conformação Molecular , Teoria Quântica , VibraçãoAssuntos
Citotoxinas , DNA de Neoplasias/química , Neoplasias/tratamento farmacológico , Compostos Organometálicos , Paládio , Inibidores da Topoisomerase II , Citotoxinas/síntese química , Citotoxinas/química , Citotoxinas/farmacologia , DNA de Neoplasias/metabolismo , Humanos , Células MCF-7 , Neoplasias/química , Neoplasias/metabolismo , Compostos Organometálicos/síntese química , Compostos Organometálicos/química , Compostos Organometálicos/farmacologia , Paládio/química , Paládio/farmacologia , Inibidores da Topoisomerase II/síntese química , Inibidores da Topoisomerase II/química , Inibidores da Topoisomerase II/farmacologiaRESUMO
This work describes the synthesis and characterization of three novel complexes derived from N-benzyl-ethylenediamine and oxalate. Precursor compounds were synthesized by reacting N-benzyl-ethylenediamine with K(2)PtCl(4). Subsequent substitution of chlorides by oxalate led to the final products. Elemental analysis and the infrared, (1)H, (13)C, and (195)Pt NMR spectra of these complexes were provided. The cytotoxic activities were investigated against human non-small cell lung carcinoma (A(549)), mouse non-metastatic cell skin melanoma (B16-F1), mouse metastatic cell skin melanoma (B16-F10), human cell breast adenocarcinoma (MDA-MB-231) and normal cell lines such as baby hamster cell kidney (BHK-21), hamster cell ovary (CHO) and compared to cisplatin and carboplatin under the same experimental conditions. The presence of oxalate as a leaving group conferred an interesting cytotoxicity profile to the complexes in the tested cell lines.