[Zn(ahtp)₂(PPh₃)(H₂O)] | 1412902-05-6

• 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: [Zn(ahtp)₂(PPh₃)(H₂O)]
• CAS: 1412902-05-6
• 化学式: C₂₆H₂₅N₆O₃PS₂Zn
• 分子量: 630.019
• InChiKey: KJVWGXCDXGCLIA-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：

  [Zn(PPh₃)₂Cl₂] 、 6-氨基-2-硫脲嘧啶 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 以68%的产率得到[Zn(ahtp)₂(PPh₃)(H₂O)]
  参考文献：
  名称：

  Synthesis, structural characterization and anticancer activity of some new complexes of 6-amino-4-hydroxy-2-thiopyrimidine

  摘要：

  New complexes of 6-amino-4-hydroxy-2-thiopyrimidine (Hahtp), [Zn(ahtp)(2)(H2O)(2)], [Zn(ahtp)(2) (PPh3)(H2O)], [Zn(Hahtp)(bpy)Cl-2], [Pd(Phen)(ahtp]Cl, [pd(Hahtp)(PPh3)(2)]Cl-2, [Ag(ahtp)(H2O)(2)]. [Ag(ahtp)(PPh3)(H2O)], [Ag(ahtp)L] (L = bpy, phen), have been synthesized and characterized on the basis of spectral (IR, H-1-NMR, ESI-mass and UV-visible), elemental analysis, thermal and molar conductivity measurements. Three modes of chelations have been observed for Hahtp; as a neutral bidentate ligand through cyclic nitrogen and thione sulfur atoms, mononegative bidentate ligand through either the deprotonated cyclic nitrogen and thione sulfur atoms or the deprotonated hydroxy and cyclic nitrogen atoms; all forming four-membered chelating rings. The free Hahtp and its complexes, [Zn(ahtp)(2)(H2O)(2)], [Zn(Hahtp)(2)(PPh3)(H2O)], [Zn(Hahtp)(bpy)Cl-2], [Pd(phen)(Hahtp]Cl and [Ag(Hahtp)(PPh3)(H2O)] have been tested against the human breast cancer MDA-MB231 cell line. The [Ag(ahtp)(PPh3)(H2O)] complex exhibits the highest efficacy with a mean IC50 value of 4.7 mu M. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.05.073