cis-[(PPh3)2Pt(9-methyadenine(-H),N6,N7)][NO3] | 1020734-44-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: cis-[(PPh3)2Pt(9-methyadenine(-H),N6,N7)][NO3]
• 英文别名: cis-[(PPh3)2Pt(9-MeAd(-H),N6,N7)][NO3]
• CAS: 1020734-44-4；880000-69-1
• 化学式: C₄₂H₃₆N₅P₂Pt*NO₃
• 分子量: 929.814
• InChiKey: QOEQQWNFPZASGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  9-甲基腺嘌呤 、 cis-[(PPh3)2Pt(μ-OH)]2(NO3)2 以 二氯甲烷 为溶剂， 以71%的产率得到cis-[(PPh3)2Pt(9-methyadenine(-H),N6,N7)][NO3]
  参考文献：
  名称：

  Synthesis and characterization of cis-[(PPh3)2Pt{9-MeAd(-H),N6N7}]X (X−= NO3, PF6): The first example of a platinum(II) complex containing the N6,N7-chelated 9-methyladenine anion

  摘要：

  Reaction between the binuclear hydroxo complex cis-[( PPh3)(2)Pt(mu-OH)](2)X-2 (X-=NO3, 1a; PF6-, 1b) and the model DNA base 9methyladenine (9-MeAd) leads to the formation of the mononuclear species cis-[( PPh3)(2)Pt{9-MeAd(-H),(NN7)-N-6}] X ( X-=NO3, 2a; PF6, 2b), in which the nucleobase chelates the Pt( II) ion with the N6 and N7 atoms. The coordination mode of the nucleobase has been determinated through a multinuclear (H-1, P-31, C-13, N-15 and Pt-195) NMR analysis and the nuclearity of the complex has been obtained by E. S. I. mass spectrometry. 2 represents the first example of an isolated platinum complex in which the NH2- deprotonated adenine exhibits this binding mode. (C) 2007 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.02.025