| 1444833-58-2

• CAS: 1444833-58-2；1444867-19-9
• 化学式: C₂₀H₂₆Br₄N₄O₂Pt
• 分子量: 869.148
• InChiKey: AXCHYUZCVFBREG-UHFFFAOYSA-J

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

• 作为产物：
  描述：

  、 溴 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 、 、 、
  参考文献：
  名称：

  Oxidative reactivity and cytotoxic properties of a platinum(II) complex prepared by outer-sphere amide bond coupling

  摘要：

  Benzyl amine was coupled to the dangling carboxylic acid groups of the platinum(II) complex [Pt(edda)Cl-2], where edda = ethylenediamine-N,N'-diacetic acid, to give the diamide-tethered complex [Pt(L)Cl-2] (1), where L = ethylenediamine-N,N'-bis(N-benzylacetamide). Complex I was oxidized with both PhICl2 and Br-2. Oxidation with PhICl2 cleanly afforded the tetrachloride complex, [Pt(L)Cl-4] (2), whereas oxidation with Br2 gave rise to several mixed halide complexes of the general formula, [Pt(L)Clx-Br4-x], where x=1, 2, or 3. Complexes 1 and 2 were fully characterized by H-1, C-13, and Pt-195 NMR spectroscopy, as well as by ESI-MS. These compounds exist as a mixture of diastereomers that arise from the chirality of the two coordinated nitrogen atoms. Crystal structures of 1, 2, and [Pt(L)ClxBry] (3) are reported. Although refined as the tetrabromide complex [Pt(L)Br-4], the crystal structure of 3 is a mixture of species with site-occupancy disorder of chloride and bromide ligands. DFT calculations indicate that the two sets of diastereomers of 1 and 2 are effectively thermoneutral, a conclusion that is also supported by the observation of both members of each pair by NMR spectroscopy. The cytotoxicity of 1 and 2 was measured by the MU assay in HeLa cells and compared to that of cisplatin. Both exhibit IC50 values close to 50 mu M and are therefore substantially less toxic than cisplatin, for which the IC50 is 1 mu M. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.07.097