cis-Pt(II)(Cl2)(3,5-diisopropylpyrazole)2 | 260992-50-5

• 英文名称: cis-Pt(II)(Cl2)(3,5-diisopropylpyrazole)2
• CAS: 260992-50-5
• 化学式: C₁₈H₃₂Cl₂N₄Pt
• 分子量: 570.465
• InChiKey: ZLLRMICBEOJAPE-UHFFFAOYSA-L

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：

  potassium tetrachloroplatinate(II) 、 3,5-二异丙基吡唑 以 盐酸 为溶剂， 以43%的产率得到cis-Pt(II)(Cl2)(3,5-diisopropylpyrazole)2
  参考文献：
  名称：

  Syntheses, antitumor activity, and molecular mechanics studies of cis-PtCl2(pzH)2 (pzH=pyrazole) and related complexes. Crystal structure of a novel Magnus-type double-salt [Pt(pzH)4][PtCl4][cis-PtCl2(pzH)2]2 involving two perpendicularly aligned 1D chains

  摘要：

  A new Magnus-type double-salt cocrystallized with a neutral complex, [Pt(pzH)(4)][PtCl4][cis-PtCl2(pzH)(2)](2) (1), has been isolated from a reaction between K2PtCl4 and pyrazole as a result of our reinvestigation of cis-PtCl2(pzH)(2) (2). interestingly, compound 1 involves two types of 1D chains respectively growing along the a- and c-axes, giving a novel intersecting framework. The former is {cis-PtCl2(pzH)(2)}(n) (Pt-Pt = 4.342(2) and 4.373(2) Angstrom), and the latter is a Magnus-type 1D chain {[Pt(pzH)(4)][PtCl4]}(n) (Pt-Pt = 3.9388(1) Angstrom). Each stacking interaction is stabilized with two hydrogen bonds formed between the chloride atoms and the N-H units of pyrazoles; Cl...N(pyrazole) = 3.21(2)-3.49(2) Angstrom. The in vitro antitumor activity of 2 toward some human cancer cell lines is found to be comparable to that of cis-PtCl2(NH3)(2). Molecular mechanics investigations of some GG-adducts of cis-Pt(pzH)(2) reveal the importance of hydrogen-bond formation between the NH(pzH) units and the guanine/phosphate groups for the electrostatic stabilization of the adducts. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00287-x