trans-[(CH3NH2)2Pt(1-methyluracilate-N3)(D2O)](1+) | 173776-51-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: trans-[(CH3NH2)2Pt(1-methyluracilate-N3)(D2O)](1+)
• CAS: 173776-51-7
• 化学式: C₇H₁₇N₄O₃Pt
• 分子量: 402.301
• InChiKey: NGGQRQDDSMFEKX-ZSJDYOACSA-M

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：

  trans-[(CH3NH2)2Pt(D2O)2](2+) 、 trans-[(CH3NH2)2Pt(1-methyluracilate-N3)2] * 3 H2O 以 重水 为溶剂， 生成 trans-[(CH3NH2)2Pt(1-methyluracilate-N3)(D2O)](1+) 、 trans-[(CH3NH2)2Pt(1-methyluracilate-C5)(D2O)](1+)
  参考文献：
  名称：

  The Uracil C(5) Position as a Metal Binding Site:  Solution and X-ray Crystal Structure Studies of Pt^II and Hg^II Compounds

  摘要：

  1,3-Dimethyluracil (1,3-DimeU) reacts with trans-[(CH3NH2)(2)Pt(H2O)(2)](+) to give trans-[(CH3NH2)(2)Pt(1,3-DimeU-C-5)(H2O)]X (X = NO3-, 1a, ClO4-, 1b) and subsequently with NaCl to give trans-(CH3NH2)(2)Pt(1,3-DimeU-C5)Cl (2) or with NH3 to yield trans-[(CH3NH2)(2)Pt(1,3-DimeU-C5)(NH3)]Cl (3). In a similar way, (dien)Pt-II forms [dienPt(1,3-DimeU-C5)](+) (4). Reactions leading to formation of 1 and 4 are slow, taking days. In contrast, Hg(CH3COO)(2) reacts fast with 1,3-DimeU to give (1,3-DimeU-C5)Hg(CH3COO) (5). Both 1-methyluracil(1-lMeUH) and uridine (urdH) react with (dien)Pt-II initially at N(3) and subsequently with either (dien)Pt-II or Hg(CH3COO)(2) also at C(5) to give the diplatinated species 7 and 9 or the mixed PtHg complex 8. C(5) binding of either Pt-II or Hg-II is evident from coupling of uracil-H(6) with either Pt-195 or Hg-199 nuclei and (3)J values of 47-74 Hz (for Pt compounds) and 185-197 Hz (for Hg compounds). J values of Pt compounds are influenced both by the ligands trans to the uracil C(5) position and by the number of metal entities bound to a uracil ring. Both 2 and 5 were X-ray structurally characterized. 2: monoclinic system, space group P2(1)/c, a (6) Angstrom, c = 25.655 (10) Angstrom, beta = 145.55(3)degrees, V = 2621.9(28) Angstrom(3), Z = 4. 5: monoclinic system, space group P2(1)/c, a = 4.905(2) Angstrom, b = 18.451(6) Angstrom, c = 11.801(5) Angstrom, beta = 94.47(3)degrees, V = 1064.77(72) Angstrom(3), Z = 4.

  DOI：

  10.1021/ic950842c