cis-[PtI₂(5,7-di-tert-butyl-1,2,4-triazolo[1,5-a]pyrimidine)₂] | 1403824-94-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并三嗪类
• 英文名称: cis-[PtI₂(5,7-di-tert-butyl-1,2,4-triazolo[1,5-a]pyrimidine)₂]
• 英文别名: cis-[PtI₂(dbtp)₂]
• CAS: 1403824-94-1
• 化学式: C₂₆H₄₀I₂N₈Pt
• 分子量: 913.546
• InChiKey: XHDNGGBYNPOCSK-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  cis-[PtI₂(5,7-di-tert-butyl-1,2,4-triazolo[1,5-a]pyrimidine)₂] 、 silver nitrate 以 丙酮 为溶剂， 反应 48.0h， 以93%的产率得到cis-[Pt(NO₃)₂(5,7-di-tert-butyl-1,2,4-triazolo[1,5-a]pyrimidine)₂]
  参考文献：
  名称：

  Structure-cytotoxicity relationship for different types of mononuclear platinum(II) complexes with 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine

  摘要：

  To compare the in vitro cytotoxicity of platinum(II) complexes with 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine (dbtp), three complexes were prepared: cis-[PtI2(dbtp)(2)] (1). cis-[Pt(NO3)(2)(dbtP)(2)] (2) and cis-[Pt(C4H4O5)(dbtp)(2)] (3). The coordination compounds have been structurally characterized by IR; H-1, C-13, N-15, Pt-195 NMR and single-crystal X-ray diffraction (1). Spectroscopic studies reveal the monodentate coordination of the heterocycle ligand (dbtp) via N(3) to platinum(II) ions. In addition, the crystal structure of (1) shows that the platinum(II) ion is located in nearly square-planar PtI2N2 environments with two heterocycle ligands (dbtp) arranged in a head-to-head orientation. The complexes have been screened for their cytotoxicity against two human cells: non-small cell lung carcinoma (A549) and breast cancer (T47D). All of the complexes demonstrated a significant antiproliferative activity against both cell lines. On the basis of these results, it is concluded that the cytotoxicity of the studied compounds against T47D follows the order: (3) < (1) < (2). (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2012.05.005
• 作为产物：
  描述：

  potassium tetraiodoplatinate 、 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine 以 乙醇 、 水 为溶剂， 反应 48.0h， 以0.101 g的产率得到cis-[PtI₂(5,7-di-tert-butyl-1,2,4-triazolo[1,5-a]pyrimidine)₂]
  参考文献：
  名称：

  Structure-cytotoxicity relationship for different types of mononuclear platinum(II) complexes with 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine

  摘要：

  To compare the in vitro cytotoxicity of platinum(II) complexes with 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine (dbtp), three complexes were prepared: cis-[PtI2(dbtp)(2)] (1). cis-[Pt(NO3)(2)(dbtP)(2)] (2) and cis-[Pt(C4H4O5)(dbtp)(2)] (3). The coordination compounds have been structurally characterized by IR; H-1, C-13, N-15, Pt-195 NMR and single-crystal X-ray diffraction (1). Spectroscopic studies reveal the monodentate coordination of the heterocycle ligand (dbtp) via N(3) to platinum(II) ions. In addition, the crystal structure of (1) shows that the platinum(II) ion is located in nearly square-planar PtI2N2 environments with two heterocycle ligands (dbtp) arranged in a head-to-head orientation. The complexes have been screened for their cytotoxicity against two human cells: non-small cell lung carcinoma (A549) and breast cancer (T47D). All of the complexes demonstrated a significant antiproliferative activity against both cell lines. On the basis of these results, it is concluded that the cytotoxicity of the studied compounds against T47D follows the order: (3) < (1) < (2). (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2012.05.005