[(η5-C5H5)TiCl2(η5-C5H4(CH2)4PPh2)] | 1247767-08-3

• 英文名称: [(η5-C5H5)TiCl2(η5-C5H4(CH2)4PPh2)]
• CAS: 1247767-08-3
• 化学式: C₂₆H₂₇Cl₂PTi
• 分子量: 489.26
• InChiKey: VKPWKDDUIYEKLY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为反应物：
  描述：

  (tetrahydrothiophene)gold(I) chloride 、 [(η5-C5H5)TiCl2(η5-C5H4(CH2)4PPh2)] 以 苯 为溶剂， 以49%的产率得到[(η5-C5H5)TiCl2(μ-η5:κ1-C5H4(CH2)4PPh2)]AuCl
  参考文献：
  名称：

  Multinuclear Cytotoxic Metallodrugs: Physicochemical Characterization and Biological Properties of Novel Heteronuclear Gold–Titanium Complexes

  摘要：

  An unprecedented series of titanocene-gold bi- and trimetallic complexes of the general formula [[(eta(5)-C5H5)-(mu-eta(5):kappa(1)-C5H4(CH2)(n)PPh2)TiCl2](m)AuClx](q+) (n = 0, 2, or 4; m = 1, x =1, q = 0 or m = 2, x = 0, q = 1) have been prepared and characterized spectroscopically. The luminescence spectroscopy and photophysics of one of the compounds, [[(eta(5)-C5H5)-(mu-eta(5):kappa(1)-C5H4PPh2)TiCl2](2)Au]PF6, have been investigated in 2MeTHF solution and in the solid state at 77 and 298 K. Evidence for interfragment interactions based on the comparison of electronic band positions and emission lifetimes, namely, triplet energy transfer (ET) from the Au- to the Ti-containing chromophores, is provided. The cytotoxicity of the complexes was evaluated on A2780 ovarian cancer cells and on their cisplatin-resistant cell line A2780cisR; the compounds showed activity in the low micromolar range that was markedly more active than the corresponding titanocene-phosphine precursors [(eta 5-C5H5)(eta(5)-C5H4(CH2)(n)PPh2)TiCl2], cisplatin, and, for some of them, the gold analogue [(PPh3)AuCl]. In an attempt to draw preliminary structure activity relationships, cell uptake measurements and interaction studies with plasmid DNA and the model protein ubiquitin (Ub) have been undertaken on some of the compounds.

  DOI：

  10.1021/ic201155y