trans-[Pt(NH3)(cyclohexylamine)(9-methylhypoxanthine-N7)(H2O)](2+) | 187339-48-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: trans-[Pt(NH3)(cyclohexylamine)(9-methylhypoxanthine-N7)(H2O)](2+)
• CAS: 187339-48-6；187143-56-2
• 化学式: C₁₂H₂₄N₆O₂Pt
• 分子量: 479.442
• InChiKey: VRPFRUFUTNLRNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None

反应信息

• 作为产物：
  描述：

  1,9-二氢-9-甲基-6H-嘌呤-6-酮 、 (氨合)环己基胺二氯铂(II) 以 重水 为溶剂， 生成 trans-[Pt(NH3)(cyclohexylamine)(9-methylhypoxanthine-N7)Cl](1+) 、 trans-[Pt(NH3)(cyclohexylamine)(9-methylhypoxanthine-N7)(H2O)](2+) 、 trans-[Pt(NH3)(cyclohexylamine)(9-methylhypoxanthine-N7)2](2+)
  参考文献：
  名称：

  Crystal and Molecular Structures of Asymmetric cis- and trans-Platinum(II/IV) Compounds and Their Reactions with DNA Fragments

  摘要：

  The asymmetrically substituted platinum(II) complexes cis-Pt(NH3)(c-C6H11NH2)Cl-2 and trans-Pt(NH3)(c-C6H11NH2)Cl-2 have been synthesized and their crystal structures have been determined. Crystals of cis-Pt(NH3)(c-C6H11NH2)Cl-2 (1) are orthorhombic, space group Pbca (no. 61) with a = 10.1994(12), b = 10.494(2), c = 18.826(2) Angstrom, Z = 8. The structure refinement converged to R1 = 0.0518 and wR2 = 0.1143. Crystals of trans-Pt(NH3)(c-C6H11NH2)Cl-2 (2) are monoclinic, space group P2(1)/c (no. 14) with a = 12.141(3), b = 6.0965(9), c = 19.864(3) Angstrom, beta = 118.71(2)degrees, Z = 4. The structure refinement converged to R1 = 0.0711 and wR2 = 0.1846. In addition, the Pt(IV) analogues with axial hydroxide ligands have been synthesized. Also the corresponding bis(carboxylato)platinum(IV) compound of formula trans,cis,cis-Pt(NH3)(c-C6H11NH2)Cl-2(OOCCH3)(2) has been obtained by conversion of the hydroxide with acetic anhydride. Reactions of these platinum complexes with 9-methylhypoxanthine and guanosine-5'-monophosphate (5'-GMP) have been studied in significant detail. The course of the reactions was followed by NMR spectroscopy, and H-1 and Pt-195 techniques were used to identify the formation of the products. It was found that the Pt(II) compounds easily react with the bases at the N7 position, whereas the Pt(IV) compounds react very slowly (for trans,cis,cis-Pt(NH3)(c-C6H11NH2)Cl-2(OOCCH3)(2)) or not at all (for trans, trans, trans-Pt(NH3)(c-C6H11NH2)Cl-2(OH)(2)), Only in the presence of glutathione does a reaction of the latter with 5'-GMP takes place. In this case a major product was found to be the reduced trans-Pt(II) complex with one molecule of 5'-GMP and one molecule of S-bonded glutathione.

  DOI：

  10.1021/ic960983u