Characterization of the first N2S(alkylthiolate)lead compound:: A model for three-coordinate lead in biological systems
Characterization of the first N2S(alkylthiolate)lead compound:: A model for three-coordinate lead in biological systems
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DOI：
10.1021/ic060497z
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发表时间：
2006-08-21
影响因子：
4.6
通讯作者：
Godwin, Hilary A.
中科院分区：
文献类型：
--
作者：
Andersen, Ryan J.;diTargiani, Robert C.;Godwin, Hilary A.
合成了一种新的N_2S（烷基硫醇）配位的Pb ~（2+）配合物{2-甲基-1-[甲基（2-吡啶-2-乙基）氨基]丙烷-2-硫醇铅高氯酸盐，[PATH-Pb][ClO_4]}，并用X射线衍射和Pb ~（207）NMR进行了表征。[PATH-Pb]（+）是第一个报道的三配位Pb与烷基硫醇配体的配合物，因此，是蛋白质中Pb-半胱氨酸相互作用的良好模型。Pb中心显示扭曲的三角平面几何形状。Pb-S键长非常短（对于晶胞中的两个不同单体为2.590（10）和2.597（10）埃）。Pb-207 NMR显示在5318 ppm处的Pb共振，远低于具有N和O连接的Pb络合物。由于最近的证据表明，三配位Pb结合蛋白质中富含半胱氨酸的金属结合位点，[PATH-Pb]（+）是一个重要的模式，在生物系统中的铅网站。晶体数据：C12 H19 N2 SPbClO 4，M-r = 529.99，单斜晶系，P2（1）/n，a = 16.8297（9）埃，B = 11.9719（6）埃，c = 17.0868（9）埃，V = 3237.7（3）埃，Z = 8。
A new N2S(alkylthiolate)-coordinated Pb2+ compound {2-methyl-1-[ methyl(2-pyridin-2-ylethyl)amino]propane-2-thiolatolead perchlorate, [PATH-Pb][ClO4]} has been synthesized and characterized by X-ray diffraction and by Pb-207 NMR. [PATH-Pb](+) is the first reported three-coordinate Pb complex with an alkanethiolate ligand and, hence, is a good model for Pb-cysteine interactions in proteins. The Pb center displays distorted trigonal-planar geometry. The Pb-S bond lengths are extremely short (2.590(10) and 2.597(10) angstrom for two distinct monomers in the unit cell). Pb-207 NMR revealed a Pb resonance at 5318 ppm, much further downfield than Pb complexes with N and O ligation. Given recent evidence of three-coordinate Pb-binding in proteins with cysteine-rich metal-binding sites, [PATH-Pb](+) is an important model for Pb sites in biological systems. Crystal data: C12H19N2SPbClO4, M-r = 529.99, monoclinic, P2(1)/n, a = 16.8297(9) angstrom, b = 11.9719(6) angstrom, c = 17.0868(9) angstrom, V = 3237.7(3) angstrom(3), and Z = 8.