trans-Pt(1-methylcytosine-N(3))2I2 | 825613-08-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: trans-Pt(1-methylcytosine-N(3))2I2
• 英文别名: trans-[Pt(1-methylcytosine-N3)2I2]；trans-[Pt(N2C4H2(O)(CH3)NH2)2)I2；4-amino-1-methylpyrimidin-2-one;diiodoplatinum
• CAS: 825613-08-9；596796-11-1
• 化学式: C₁₀H₁₄I₂N₆O₂Pt
• 分子量: 699.149
• InChiKey: WSWANMWWYAHMRB-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  trans-Pt(1-methylcytosine-N(3))2I2 、 9-乙基鸟嘌呤 、 silver nitrate 以 水 为溶剂， 以28%的产率得到trans-[Pt(1-methylcytosine-N(3))2(9-ethylguanine-N(7))2](NO3)2*3H2O
  参考文献：
  名称：

  Cationic tetrakis(nucleobase)complexes of PtII as metalloligands and potential building blocks for molecular architectures

  摘要：

  我们合成了三种阳离子四（核碱基）铂Ⅱ配合物：[Pt(Hmhyp-N7)4](NO3)2-H2O 1、[Pt(Hegua-N7)4](NO3)2-2KNO3-5H2O 2 和反式-[Pt(Hmcyt-N3)2(Hegua-N7)2](NO3)23（Hmhyp = 9-甲基次黄嘌呤，Hegua = 9-乙基鸟嘌呤，Hmcyt = 1-甲基胞嘧啶）。1 的 X 射线晶体结构已经确定。这三种阳离子化合物都能迅速与 HgII 发生反应，但凝胶的形成阻碍了对所形成产物的充分鉴定。不过，1 的一种 CuII 加合物以晶体形式分离出来，并进行了晶体学表征。[{(H2O)Cu(Hmhyp)4Pt}2Cu(ClO4)4](ClO4)2(NO3)4-6H2O以中心对称的 Cu-Pt-Cu-Pt-Cu 链结构结晶，Cu-Pt 间距为 2.791(1)埃（外部）和 3.8980(9)埃（内部）。三个 CuII 离子中有两个是通过 Hmhyp 核碱基的外环 O6 位点结合的。在中性和中等碱性 pH 值条件下，1 和 2 都会形成几乎不溶解的沉淀物，在强碱性 pH 值条件下，沉淀物会重新溶解，最终形成阴离子 [Pt(L)4]2- 物种（L = mhyp, egua）。最后，如 DMSO-d6 中的 1H NMR 光谱所示，2 与互补的 Hmcyt 相互作用，产生沃森-克里克（Watson-Crick）结合体。

  DOI：

  10.1039/b502251g
• 作为产物：
  描述：

  4-amino-1-methylpyrimidin-2-one;dichloroplatinum 、 potassium iodide 在 HClO₄ 作用下， 以 水 为溶剂， 生成 trans-Pt(1-methylcytosine-N(3))2I2
  参考文献：
  名称：

  Diplatinum(III) Complexes with Four Bridging 1-Methylcytosinato Nucleobases Derived from a Mononuclear trans-(NH₃)₂Pt^II Complex and Cu^II

  摘要：

  A heteronuclear complex of composition trans-[(NH3)(2)Pt(N4-1-MeC--N3)(2)Cu(H2O)(2)](ClO4)2 (1a), with 1-MeC- = 1-methylcytosinate, has been prepared and characterized by X-ray crystallography. 1a (Cu,Pt) is a linkage isomer of a previously described compound with the two metals inverted (Pt,Cu). The intermetallic distances are significantly different in the two types of compounds, 2.6109(9) Angstrom in 1a, yet 2.49-2.56 Angstrom in several forms of the linkage isomer. When heated in water in the presence of air, la is converted in low yield into diplatinum(III) compounds [(H3N)Pt(1-MeC--N3,N4)(4)Pt(NH3)](2+) (2a) and [(H2O)Pt(1-MeC--N3,N4)(4)Pt(NH3)](2+) (2b), which were crystallized as ClO4- salts. In a modified procedure a third representative of this g,roup of diplatinum(III) compounds, [(O2N)Pt(1-MeC--N3,N4)(4)Pt](+) (2c) was isolated. All three compounds contain the four bridging 1-MeC ligands in a head, tail, head, tail arrangement with Pt-Pt distances (2.4516(7)-2.4976(9) Angstrom) that are the shortest ones among diplatinum(III) compounds containing nucleobases.

  DOI：

  10.1021/ic0343152

文献信息

• Coexistence of major and minor tautomers of 1-methylcytosine (1-MeC) in a single metal complex, trans-Pt(1-MeC-N3)(1-MeC-N4)X2 (X=Cl, I): metal migration N3→N4 at acidic pH
  作者：Pablo J. Sanz Miguel、Patrick Lax、Michael Willermann、Bernhard Lippert

  DOI：10.1016/j.ica.2004.07.009

  日期：2004.12

  Two complexes of composition trans-Pt(1-MeC-N3)(1-MeC-N4)I-2 . 2H(2)O (4) and trans-Pt(1-MeC-N3)(1-MeC-N4)Cl-2 (5) are described and characterized by X-ray analysis, which simultaneously contain the preferred aminooxo tautomer I and the rare iminooxo tautomer II of 1-methyleytosine (1-MeC) bonded to the heavy metal, via N3 and N4, respectively. Formation of 4 originates from [Pt(1-MeC-N3)(3)I]I (2), which likewise has been characterized by X-ray crystal structure analysis. A feasible way of formation of 4, which involves a metal migration process from N3 to N4 occurring at moderately acidic pH, is proposed. It appears to be yet another mechanism of metal migration, different from previously established cases which are redox-assisted and hydroxide-promoted, respectively. (C) 2004 Elsevier B.V. All rights reserved.