(Et3PAu)2(μ-SN4C5H(NH2))H2O | 150303-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (Et3PAu)2(μ-SN4C5H(NH2))H2O
• CAS: 150303-07-4
• 化学式: C₁₇H₃₃Au₂N₅P₂S*H₂O
• 分子量: 813.444
• InChiKey: KXQDVYZCHFFVNP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  28.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  101.12
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  水 、 6-硫鸟嘌呤 、 氯(三乙基膦)金(I) 以 水 为溶剂， 以84%的产率得到(Et3PAu)2(μ-SN4C5H(NH2))H2O
  参考文献：
  名称：

  Synthesis and characterization of complexes of trialkyl- and triarylphosphine gold(I) with thiolated purines and pyrimidines: a class of bifunctional compounds with potential antitumor activity

  摘要：

  New complexes of the type R3PAuL or (R3PAu)2(mu-L) where R=ethyl or phenyl and L=6-thioguanine, 2,6-dithioxanthine, 2,4-dithiouracil and/or dithioerythritol have been prepared. These complexes have been identified by using elemental analysis, H-1, C-13 and P-31 NMR spectroscopy. The structures have been proposed based on these spectroscopic studies. Sulfur appears to be the binding site in disubstituted complexes of 2,4-dithiouracil and 1,4-dithioerythritol, while the phosphine gold(I) moieties appear to be S and N bonded in 2,6-dithioxanthine and 6-thioguanine. The potential use of these complexes as antitumor drugs is discussed.

  DOI：

  10.1016/s0020-1693(00)85133-6