2-acetylpyrazine N(4)-pyridylthiosemicarbazone | 1381766-26-2

• 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: 2-acetylpyrazine N(4)-pyridylthiosemicarbazone
• 英文别名: 1-(1-pyrazin-2-ylethylideneamino)-3-pyridin-2-ylthiourea
• CAS: 1381766-26-2
• 化学式: C₁₂H₁₂N₆S
• 分子量: 272.333
• InChiKey: DKVNKUCEQKWIRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bismuth (III) nitrate pentahydrate 、 2-acetylpyrazine N(4)-pyridylthiosemicarbazone 在 HNO₃ 作用下， 以 乙醇 为溶剂， 生成 (2-acetylpyrazine N(4)-pyridylthiosemicarbazone)Bi(NO3)3
  参考文献：
  名称：

  Synthesis, characterization, crystal structure and biological activities of the unusual main group 8-coordinate bismuth (III) complex derived from 2-acetylpyrazine N4- pyridylthiosemicarbazone

  摘要：

  Main group metal complex [Bi(HL)(NO3)(3)] (1), where HL=2-acetylpyrazine N(4)-pyridylthiosemicarbazone, has been synthesized and characterized by elemental analysis, IR, MS and single-crystal X-ray diffraction studies. The interesting monomeric 8-coordinate bismuth(III) complex 1 is depicted with one electron pair (6 s(2)) of the bismuth(III) atom, one N2S tridentate neutral thiosemicarbazone, two monodentate and one bidentate nitrate ions, respectively. In vitro biological studies have indicated that the bismuth complex 1 has shown effective anti-bacterial and anticancer activities especially with MIC = 15.6 mu g/mL against Gram positive bacteria Bacillus cereus and IC50 = 1.6 mu M against K562 leukemia cell lines, respectively, comparable to positive control. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.02.009