2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]propane-2-thiolatolead perchlorate | 910452-84-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]propane-2-thiolatolead perchlorate
• CAS: 910452-84-5
• 化学式: C₁₂H₁₉N₂PbS*ClO₄
• 分子量: 530.013
• InChiKey: CKVVZNZPCHCFKG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  lead(II) perchlorate trihydrate 、 2-甲基-1-[甲基(2-吡啶-2-基乙基)氨基]丙烷-2-硫醇 以 甲醇 为溶剂， 以23%的产率得到2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]propane-2-thiolatolead perchlorate
  参考文献：
  名称：

  Characterization of the First N₂S(alkylthiolate)lead Compound:  A Model for Three-Coordinate Lead in Biological Systems

  摘要：

  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.

  DOI：

  10.1021/ic060497z