二正丁基锡(Ⅳ)双(二茂铁硫代甲酸酯)配合物的合成、结构表征及其体外抗癌活性研究

Study on Synthesis, Characterization, Crystal Structure and in vitro Antitumour Activity of Di-n-Butyltin Bis-Ferrocenethiocarboxylate Complex

以二茂铁硫代甲酸和二正丁基氧化锡反应 ,合成了未见报道的二正丁基锡新型配合物 (n Bu) 2 Sn(FcCOS) 2 [Fc =( η5 C5H5)Fe( η5 C5H4) ] .通过元素分析、红外光谱和核磁共振 ( 1 H ,1 3 C ,1 1 9Sn)谱等分析手段对配合物的组成和结构进行了表征 .用X射线单晶衍射分析法测定了该配合物的晶体结构 .晶体属四方晶系 ,空间群P42 1 m ,晶胞参数a =2 3 3 5 1( 7)nm ,b =2 3 3 5 1( 7)nm ,c=0 5 870 ( 2 )nm ,V =3 2 0 0 5 ( 18)nm3 ,Z =4,Dc=1 5 0 1Mg/m3 ,μ(MoKα) =1 82 3mm-1 ,F( 0 0 0 ) =14 64 ,最终可靠因子R1 =0 0 73 3 ,wR2 =0 1173 .配合物中锡原子与 2个S原子、2个O原子和 2个C原子形成扭曲的八面体几何构型 .体外抗癌活性测试结果表明 ,该配合物对人体的白血病HL 60、结肠癌HCT 8、胃癌BGC 82 3和鼻咽癌KB等癌细胞均有很好的抑制能力 .

A novel complex ( n Bu) 2Sn(FcCOS) 2 [Fc=( η 5 C 5H 5)Fe( η 5 C 5H 4)] has been synthesized by the reaction of ( n Bu) 2SnO with FcCOSH. The structure was characterized by elemental analysis, IR and NMR ( 1H, 13 C and 119 Sn) spectroscopies. The crystal structure was determined by X ray single crystal diffraction analysis. The results show that the complex is tetragonal with space group P 42 1 m , the unit cell parameters are as follows: a =2 3351(7) nm, b =2 3351(7) nm, c =0 5870(2) nm, V =3 2005(18) nm 3, Z =4, D c=1 501 Mg/m 3, μ (Mo Kα)=1 823 mm -1 , F (000)=1464. The structure was refined to final R 1=0 0733, wR 2=0 1173. In the crystal of the title complex, the tin atoms rendered six coordination in a distorted octahedral geometry structure, two oxygen atoms and two sulphur atoms formed the equatorial plane and C(12)—Sn(1)—C(16) made the axis. The in vitro antitumour activity of the novel complex has been tested and the result shows that the novel complex exhibits better antitumour activity in vitro against HL 60, HCT 8, BGC 823 and KB tumour cells.