(OC-6-22)-tetraacetato(ethane-1,2-diamino)platinum(IV) | 245432-10-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (OC-6-22)-tetraacetato(ethane-1,2-diamino)platinum(IV)
• 英文别名: (ethylenediamine)tetraacetatoplatinum(IV)；Ethane-1,2-diamine;platinum(4+);tetraacetate
• CAS: 245432-10-4
• 化学式: C₁₀H₂₀N₂O₈Pt
• 分子量: 491.357
• InChiKey: HOFTWTSWPUGFRY-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -6.07
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  213
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (OC-6-22)-tetraacetato(ethane-1,2-diamino)platinum(IV) 、 guanosine 5'-monophosphate disodium 在 cisplatin sodium ascorbate 作用下， 以 水 、 重水 为溶剂， 生成 [Pt(ethylenediamine)(guanosine 5'-monophosphate)2](2-)
  参考文献：
  名称：

  Is reduction required for antitumour activity of platinum(IV) compounds? Characterisation of a platinum(IV)–nucleotide adduct [enPt(OCOCH3)3(5′-GMP)] by NMR spectroscopy and ESI-MS

  摘要：

  It is widely acknowledged that DNA is the major target of platinum based antitumour chemotherapy. During the last few years a series of kinetically inert platinum(IV) complexes has been synthesised with respect to an oral administration, to broaden the spectrum of activity and to reduce the toxic side effects. In this context the mode of action of the before mentioned anticancer compounds is of great interest. The present study wants to answer the question if direct interactions of platinum(IV) complexes with nucleotides are possible and how they can be investigated. For this purpose, a platinum(IV) complex, [enPt(OCOCH3)(4)] was reacted with guanosine-5'-monophosphate at 37 degrees C. It was shown by H-1 and N-15,H-1-ge-HMQC NMR spectroscopy that platinum(IV)-5'-GMP species were formed. They were stable over a long period without detecting any platinum(II) species. The time dependent attack of the nucleotide could be followed in a very sensitive way by the release of the acetato ligand. The adduct formed was identified as [enPt(OCOCH3)(3)(5'-GMP)] by ESI-MS. After 8 weeks sodium ascorbate was added showing that both the intact [enPt(OCOCH3)(4)] complex and the platinum(IV)-5'-GMP species had been reduced. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00613-1
• 作为产物：
  描述：

  (ethylenediamine)tetrahydroxoplatinum(IV) 、 乙酸酐 以 二氯甲烷 为溶剂， 以91%的产率得到(OC-6-22)-tetraacetato(ethane-1,2-diamino)platinum(IV)
  参考文献：
  名称：

  （二胺）四羧基铂（IV）配合物的简便合成和结构性能

  摘要：

  摘要（二胺）四羧基铂（IV）配合物，A2Pt（OOCR）4（A2 =反式-（±）-1,2-二氨基环己烷（dach），2,2-二甲基-1,3-丙二胺（dmpda），乙二胺（ en）中的2 NH3，2环丙胺（cpa）; R = CH3，C2H5）已通过使（二胺）四氢氧铂（IV）与羧酸酐在二氯甲烷中反应而轻松合成，并通过X射线分析和1 H NMR光谱。（dach）Pt（OH）4反应物在三斜空间群P 1（No. 2）中结晶，其中两个分子处于不对称单元中，并且铂（IV）原子周围的局部几何结构是规则的八面体，但羧化产物（dach）Pt（O2CCH3）4在单斜空间群P21 / c（No. 14）中结晶，并且铂（IV）原子处于扭曲的八面体环境。标题配合物最有趣的结构方面是，赤道的Pt（IV）-羧酸酯键比轴向的键长一些，这可能是由于氮和氧原子对反式影响的差异所致。1 H NMR谱也显示轴向和赤道乙酸酯基团不相等。

  DOI：

  10.1016/s0020-1693(99)00169-3