[(η6-p-MeC6H4iPr)2Ru2(μ2-SCH2C6H4–p-tBu)2(μ2-S-p-C6H4F)]+Cl- | 1448989-90-9

• 英文名称: [(η6-p-MeC6H4iPr)2Ru2(μ2-SCH2C6H4–p-tBu)2(μ2-S-p-C6H4F)]+Cl-
• 英文别名: [(η⁶-p-MeC₆H₄ⁱPr)₂Ru₂(μ₂-SCH₂C₆H₄-p-^tBu)₂(μ₂-S-p-C₆H₄F)]⁺Cl^-
• CAS: 1448989-90-9
• 化学式: C₄₈H₆₂FRu₂S₃*Cl
• 分子量: 991.81
• InChiKey: DAPAKTLWOFWFHQ-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：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  对氟苯硫酚 、 [(η⁶-p-MeC₆H₄ⁱPr)₂Ru₂Cl₂(μ₂-SCH₂C₆H₄-p-^tBu)₂] 以 乙醇 为溶剂， 反应 24.0h， 以83%的产率得到[(η6-p-MeC6H4iPr)2Ru2(μ2-SCH2C6H4–p-tBu)2(μ2-S-p-C6H4F)]+Cl-
  参考文献：
  名称：

  追求最佳——三硫醇桥联双核钌 (II)-芳烃化合物的 SAR 研究具有抗寄生虫特性

  摘要：

  基于三硫醇桥联双核钌 (II)-芳烃支架（通式 [( η 6 -芳烃) 2 Ru 2 ( μ 2 -SR) 3 ] +，对称和[( η 6 -芳烃) 2 Ru 2 ( μ 2 -SR 1 ) 2 ( μ 2 -SR 2 )] +, 混合, 分别) 报告。通过在桥硫醇水平引入化学修饰合成了56种化合物（其中34种为新设计的候选药物），并根据其结构特征分为8个家族。选定的配件以先前的结果为指导，并专注于物理化学和空间特性的微调。新合成的配合物通过核磁共振波谱、质谱和元素分析进行​​了表征，得到了四种单晶X射线结构。 在体外的化合物的生物评估是通过应用三步骤筛选级联实现的：（i）针对所述活性评价弓形虫表达RH株速殖子β半乳糖苷酶（刚地弓形虫-β-GAL）在人包皮成纤维生长单层 (HFF) 和评估未感染 HFF 宿主细胞的毒性；(ii) 使用选定化合物的剂量反应分析，以及 (iii) 研究对鼠脾细胞的影响。

  DOI：

  10.1016/j.ejmech.2021.113610

文献信息

• 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
  作者：Federico Giannini、Julien Furrer、Georg Süss-Fink、Catherine M. Clavel、Paul J. Dyson

  DOI：10.1016/j.jorganchem.2013.04.049

  日期：2013.11

  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.