(Ph3PAu)2(μ-SN4C5H2(S))H2O | 150303-12-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: (Ph3PAu)2(μ-SN4C5H2(S))H2O
• CAS: 150303-12-1
• 化学式: C₄₁H₃₂Au₂N₄P₂S₂*H₂O
• 分子量: 1118.76
• InChiKey: OQLUQMYSLZWAMX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  7.42
• 重原子数：
  52.0
• 可旋转键数：
  11.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.0
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  水 、 三苯基膦氯金 、 2,6-二巯基嘌呤 以 水 为溶剂， 生成 (Ph3PAu)2(μ-SN4C5H2(S))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