[(η⁶-C6H6)RuCl(5-(4-methylthiophenyl)-dipyrromethene)] | 1501947-05-2

• 英文名称: [(η⁶-C6H6)RuCl(5-(4-methylthiophenyl)-dipyrromethene)]
• 英文别名: [(η⁶-C6H6)RuCl(4-mtpm)]
• CAS: 1501947-05-2
• 化学式: C₂₂H₁₉ClN₂RuS
• 分子量: 479.995
• InChiKey: CLKVJUFGKNCSCO-BIZPNDHSSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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

• 作为产物：
  描述：

  [RuCl2(benzene)]2 、 5-(4-methylthiophenyl)-dipyrromethene 在 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.0h， 以54%的产率得到[(η⁶-C6H6)RuCl(5-(4-methylthiophenyl)-dipyrromethene)]
  参考文献：
  名称：

  DNA/Protein Binding, Molecular Docking, and in Vitro Anticancer Activity of Some Thioether-Dipyrrinato Complexes

  摘要：

  Syntheses and characterizations of the arene ruthenium [(eta(6)-C6H6)RuCl(4-mtdpm)] (1), eta(6)-p-MeC6H4Pri?)RuCl(4-mtdpm)] (2), and structurally analogous rhodium/iridium complexes [(eta(5)-C5Me5)RhCl(4-mtdpm)] (3) and [(eta(5)-C5Me5)IrCl(4-mtdpm)] (4) [4-mtdpm = 5-(4-methylthiophenyl)-dipyrromethene] have been reported. Their identities have been established by satisfactory elemental analyses, electrospray ionization-mass spectrometry (ESI-MS), FT-IR, NMR (H-1, C-13), UV/vis, emission spectral, and electrochemical studies. Structure of the representative complex 3 has been authenticated by X-ray single crystal analyses. The complexes 1-4 effectively bind with calf thymus DNA (CT DNA) through intercalative/electrostatic interactions. In addition, these exhibit significant cytotoxicity toward Dalton lymphoma (DL) cell line and cause static quenching of the bovine serum albumin (BSA) fluorophore. The antiproliferative activity, morphological changes, and apoptosis have been evaluated by MTT assay, acridine orange/ethidium bromide (AO/EtBr) fluorescence staining, and DNA ladder assay. Mode of interaction of the complexes with DNA/protein has also been supported by molecular docking. Various studies revealed remarkable decrease in the in vitro DL cell proliferation and induction of the apoptosis by 1-4, which lies in the order 2 > 1 > 4 > 3.

  DOI：

  10.1021/ic401662d