[(η6-p-MeC6H4iPr)2Ru2Cl2(μ2-SCH2CH2Ph)2] | 1355036-36-0

• 英文名称: [(η6-p-MeC6H4iPr)2Ru2Cl2(μ2-SCH2CH2Ph)2]
• 英文别名: [(η⁶-p-MeC₆H₄ⁱPr)₂Ru₂Cl₂(μ₂-SCH₂CH₂Ph)₂]；((η6-p-cymene)(μ-2-phenylethanethiolato)RuCl)2
• CAS: 1355036-36-0
• 化学式: C₃₆H₄₆Cl₂Ru₂S₂
• 分子量: 815.939
• InChiKey: KODVGRBBZSHLNL-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(η6-p-MeC6H4iPr)2Ru2Cl2(μ2-SCH2CH2Ph)2] 、 苯硫酚 以 乙醇 为溶剂， 反应 15.0h， 以93%的产率得到[(η⁶-p-MeC₆H₄ⁱPr)₂Ru₂(μ₂-SCH₂CH₂Ph)₂(μ₂-SPh)]⁺Cl^-
  参考文献：
  名称：

  Synthesis, characterization and in vitro anticancer activity of highly cytotoxic trithiolato diruthenium complexes of the type [(η6-p-MeC6H4iPr)2Ru2(μ2-SR1)2(μ2-SR2)]+ containing different thiolato bridges

  摘要：

  A series of cationic dinuclear p-cymene ruthenium complexes containing three thiolato bridges with different substituents at the sulfur atoms, [(eta(6)-p-(MeC6H4Pr)-Pr-i)(2)Ru-2(mu(2)-SR1)(2)(mu(2)-SR2)](+) (R-1 = CH2Ph, R-2 = Ph: 4; R-1 = CH2Ph, R-2 = p-(C6H4Pr)-Pr-i: 5; R-1 = CH2Ph, R-2 = p-(C6H4Bu)-Bu-t: 6; R-1 = CH2Ph, R-2 = p-C6H4OH: 7; R-1 = CH2Ph, R-2 = p-C6H4Br: 8; R-1 = CH2Ph, R-2 = p-C6H4F: 9; R-1 = CH2CH2Ph, R-2 = Ph: 10; R-1 = CH2CH2Ph, R-2 = p-(C6H4Pr)-Pr-i: 11; R-1 = CH2CH2Ph, R-2 = p-(C6H4Bu)-Bu-t: 12; R-1 = CH2CH2Ph, R-2 = p-C6H4OH: 13; R-1 = CH2CH2Ph, R-2 = p-C6H4Br: 14; R-1 = CH2CH2Ph, R-2 = p-C6H4F: 15; R-1 = CH2C6H4-p-Bu-t, R-2 = Ph: 16; R-1 = CH2C6H4-p-Bu-t, R-2 = p-(C6H4Pr)-Pr-i: 17; R-1 = CH2C6H4-p-Bu-t, R-2 = p-(C6H4Bu)-Bu-t: 18; R-1 = CH2C6H4-p-Bu-t, R-2 = p-C6H4OH: 19; R-1 = CH2C6H4-p-Bu-t, R-2 = p-C6H4Br: 20; R-1 = CH2C6H4-p-Bu-t, R-2 = p-C6H4F: 21), have been obtained from the reaction of the neutral dithiolato intermediates [(eta(6)-p-(MeC6H4Pr)-Pr-i)(2)Ru2Cl2(mu(2)-SR1)(2)] (R-1 = CH2Ph: 1; R-1 = CH2CH2Ph: 2; R-1 = CH2C6H4-p-Bu-t: 3) with the corresponding thiophenol (RSH)-S-2. All cationic complexes have been isolated as their chloride salts and fully characterized by spectroscopic and analytical methods. All complexes are highly cytotoxic against human ovarian cancer cells, the IC50 values being in the submicromolar range. The highest activity is shown by complex 6 with IC50 values of 48 nM against the A2780 cell line and 42 nM against the cisplatin-resistant line A2780cisR. This family of cationic trithiolato complexes belongs to the most cytotoxic ruthenium compounds ever reported. The catalytic activity selected representatives for the oxidation of glutathione (GSH) to GSSG has been investigated by NMR spectroscopy. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.04.049
• 作为产物：
  描述：

  2-苯乙硫醇 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 以 乙醇 为溶剂， 以53%的产率得到[(η6-p-MeC6H4iPr)2Ru2Cl2(μ2-SCH2CH2Ph)2]
  参考文献：
  名称：

  硫醇桥联芳烃-钌配合物：双核配合物 [(芳烃)2Ru2(SR)2Cl2] 的合成、分子结构、反应性和抗癌活性

  摘要：

  用硫醇 RSH 处理二氯化芳钌二聚体以产生 [(芳烃)2Ru2(SR)3]+ 类型的阳离子三硫代络合物，显示通过中性硫代络合物 [(芳烃)2Ru2(SR)2Cl2]，已分离并表征芳烃 = p-MeC6H4iPr 和 R = CH2Ph (1)、CH2CH2Ph (2)、CH2C6H4-p-tBu (3) 和 C6H11 (4)。对叔丁基苄基衍生物 3 的单晶 X 射线结构分析表明，两个钌原子由两个硫醇基配体桥接，没有金属金属键。中性二硫代络合物[(芳烃)2Ru2(SR)2Cl2](13)是形成阳离子三硫代络合物[(芳烃)2Ru2(SR)3]+(57)的中间体。在新的 [(arene)2Ru2(SR)2Cl2] 复合物中，衍生物 2 对人卵巢癌细胞具有高度细胞毒性，IC50 值为 0。

  DOI：

  10.1002/ejic.201101057