trans-[PtI2(DMSO)(5,7-di-tert-butyl-1,2,4-triazolo[1,5-a]pyrimidine)] | 1370010-03-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: trans-[PtI2(DMSO)(5,7-di-tert-butyl-1,2,4-triazolo[1,5-a]pyrimidine)]
• CAS: 1370010-03-9
• 化学式: C₁₅H₂₆I₂N₄OPtS
• 分子量: 759.353
• InChiKey: VXPDTLRYITUHGG-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

• 作为产物：
  描述：

  cis-[PtI₂(dmso)₂] 、 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以53%的产率得到trans-[PtI2(DMSO)(5,7-di-tert-butyl-1,2,4-triazolo[1,5-a]pyrimidine)]
  参考文献：
  名称：

  Platinum(II) complexes with 5,7-disubstituted-1,2,4-triazolo [1,5-a]pyrimidines: Spectroscopical characterization and cytotoxic activity in vitro

  摘要：

  Complexes of the types: cis[PtI2(dptp)(2)] (1), cis-[PtI2(NH3)(dptp)] (2), trans-[PtI2(dptp)(dmso)] (3) and trans-[PtI2(dbtp)(dmso)] (4), where dptp=5,7-diphenyl-1,2,4-triazolo[1,5-a]pyrimidine (dptp), dbtp=5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine have been synthesized and characterized by infrared and multinuclear magnetic resonance spectroscopic techniques (H-1, C-13, N-15, Pt-195). In Pt-195 NMR, the cis-diiodo complexes were observed between -2601 ppm and -3261 ppm, while the trans coordination compounds were found at higher field (ca. 4389 ppm). In all cases significant N-15 NMR shielding (92-95 ppm) were observed for N(3) atom indicating this nitrogen atom as a coordination site. The cis complexes have been assayed for antitumor activity in vitro against two human cell lines: A549 (non-small cell lung carcinoma) and T47D (breast cancer). The results indicate a moderate antiproliferative activity of (2) against human cancer lines. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.01.050