PtCl3(9-methyladenine(+H)) | 55272-66-7

• 英文名称: PtCl3(9-methyladenine(+H))
• 英文别名: PtCl3(9-MeAH)
• CAS: 55272-66-7
• 化学式: C₆H₇Cl₃N₅Pt*H
• 分子量: 451.602
• InChiKey: JDNJUTWJNMSMGT-UHFFFAOYSA-L

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：
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反应信息

• 作为反应物：
  描述：

  PtCl3(9-methyladenine(+H)) 在 NH₃ 作用下， 以 氨 为溶剂， 生成 [(9-methyladenine)triammineplatinum(II)] dichloride dihydrate
  参考文献：
  名称：

  （9-甲基腺嘌呤）三氨合铂（II）和反式-二氢（9-甲基腺嘌呤）三氨合铂（IV）配合物的制备与表征

  摘要：

  制剂被报道[（NH的3）3的Pt（9- MEA）] X 2与XCl（（9-MEA = 9甲基腺嘌呤）1A）和XClO 4（1B）和反式- [（ OH）2的Pt（NH 3）3 - （9-亚MEA）] X 2与XCl（图2a）和XClO 4（图2b），和的晶体结构1b中。[（NH 3）3 Pt（C 6 H 7 N 5）]（ClO 4）2在空间群中结晶P 2 1 / n，a = 20.810（7）Å，b = 7.697（3）Å，c = 10.567（4）Å，β= 91.57（6）°，Z =4。结构细化为R = 0.054 ，R w＝ 0.063。在所有四种化合物中，Pt均通过9-MeA的N7进行配位，这从腺嘌呤环的H8与195 Pt之间的3 J偶合可明显看出。可以根据不同的3 J值区分Pt（II）和Pt（IV）配合物，Pt（II）的比Pt（IV）大的1.5 J（av）。在我2 SO-d的

  DOI：

  10.1016/s0020-1693(00)80706-9
• 作为产物：
  描述：

  potassium tetrachloroplatinate(II) 、 9-甲基腺嘌呤 以 水 为溶剂， 生成 PtCl3(9-methyladenine(+H))
  参考文献：
  名称：

  Migration of a cis-(NH₃)₂Pt^II Moiety along Two Adenine Nucleobases, from N1 to N6, is Markedly Facilitated by Additional Pt^II Entities Coordinated to N7

  摘要：

  Adenine acidification as a consequence of simultaneous Pt-II binding to N1 and N7 facilitates deprotonation of the exocyclic N(6)H-2 group and permits Pt-II migration from N1 to N6 under mild conditions. Starting from the trinuclear complex cis-[(NH3)(2)Pt(N1-9-MeA-N7)(2){Pt(NH3)(3))}(2)](6+) (3), stepwise migration of cis-(NH3)(2)Pt-II takes place in the alkaline aqueous solution to give initially cis- [(NH3)(2)Pt(N1-9-MeA-N7)(N6-9-MeA(-)-N7){Pt(NH3)(3)}(2)](5+) (4) and eventually cis-[(NH3)(2)Pt(N6-9-MeA(-)-N7)(2){Pt(NH3)(3)}(2)](4+) (5) (with 9-MeA = neutral 9-methyladenine, 9-MeA(-) = 9-methyladenine monoanion, deprotonated at N6). The migration process has been studied by H-1 NMR spectroscopy, and relevant acid-base equilibria have been determined. 5 has been crystallized as its nitrate salt and has been characterized by X-ray crystallography. The precursor of 3, [(NH3)(3)Pt (9-MeA-N7)]Cl-2 center dot 2H(2)O (2) has likewise been studied by X-ray analysis.

  DOI：

  10.1021/ic7008754