Departamento de Química Inorgánica, Facultad de Química, Universidad de Murcia, 30071, Murcia, Spain.
Dalton Trans. 2010 Apr 7;39(13):3290-301. doi: 10.1039/b920854b. Epub 2010 Feb 13.
A series of new 7-azaindolyl palladium and platinum complexes have been prepared. The X-ray structure determinations of [NBu(4)][M(C(6)F(5))(2)(Haza-N7)(aza-N1)].Haza [M = Pd, Pt; aza = 7-azaindolate (lH-pyrrolo[2,3-b]pyridinate)] have established for the first time the coordination to the same metal centre of both neutral and anionic forms of the ligand. Theoretical calculations at the mPW1B95/aug6-31G**/StRSCecp level show that both kinetic and thermodynamic arguments support the observed coordination and H-bonding interaction of the pyrrolo and pyridine moieties of the neutral and deprotonated heterocyclic ligands. At 48 h incubation time the new platinum complex [Pt(dmba)(aza-N1)(DMSO)] (dmba = N,N-dimethylbenzylamine-kappaN,kappaC) shows sub-micromolar activity both in A2780 and T47D [IC(50) (microM) = 0.34 and 0.53, respectively]. The DNA adduct formation of the new platinum complexes was followed by circular dichroism and electrophoretic mobility.
一系列新的 7-氮杂吲哚钯和铂配合物已被制备。通过 X 射线结构测定，确定了 [NBu(4)][M(C(6)F(5))(2)(Haza-N7)(aza-N1)].Haza [M = Pd, Pt; aza = 7-氮杂吲哚（lH-吡咯并[2,3-b]吡啶）] 中配体的中性和阴离子形式同时与同一金属中心配位。在 mPW1B95/aug6-31G**/StRSCecp 水平上的理论计算表明，动力学和热力学因素都支持观察到的中性和去质子化杂环配体的吡咯和吡啶部分的配位和氢键相互作用。在 48 小时孵育时间内，新型铂配合物 [Pt(dmba)(aza-N1)(DMSO)]（dmba = N,N-二甲基苄基胺-kappaN，kappaC）在 A2780 和 T47D 中均表现出亚微摩尔的活性[IC(50)（μM）分别为 0.34 和 0.53]。新型铂配合物的 DNA 加合物形成通过圆二色性和电泳迁移率进行了跟踪。
