N-(2-aminoethyl)-2-<1-(2-pyridinyl)ethylidene>hydrazinecarbothioamide | 96699-92-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(2-aminoethyl)-2-<1-(2-pyridinyl)ethylidene>hydrazinecarbothioamide
• 英文别名: 1-(2-aminoethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
• CAS: 96699-92-2
• 化学式: C₁₀H₁₅N₅S
• 分子量: 237.329
• InChiKey: NGPRIEJOXPBLOG-UHFFFAOYSA-N

物化性质

• 熔点：
  128-129 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  390.4±48.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  75.33
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-[1-(2-pyridyl)ethylidene]hydrazinecarbodithioate 、 乙二胺 以 乙醇 为溶剂， 反应 24.0h， 以30%的产率得到N-(2-aminoethyl)-2-<1-(2-pyridinyl)ethylidene>hydrazinecarbothioamide
  参考文献：
  名称：

  2-Acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity

  摘要：

  Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioamide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Compounds 4 and 14 were also shown to inactivate or kill Onchocerca gutturosa and Onchocerca volvulus adult worms as measured by the loss of their motility or the inhibition of the conversion by the worms of the dye MTT to formazan.

  DOI：

  10.1021/jm00108a027

文献信息

• Lin, Ai Jeng; Klayman, Daniel L., Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 1 - 4
  作者：Lin, Ai Jeng、Klayman, Daniel L.

  DOI：——

  日期：——
• 2-Acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity
  作者：Daniel L. Klayman、Ai J. Lin、John W. McCall、Shao Yin Wang、Simon Townson、Max Grogl、Kenneth E. Kinnamon

  DOI：10.1021/jm00108a027

  日期：1991.4

  Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioamide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Compounds 4 and 14 were also shown to inactivate or kill Onchocerca gutturosa and Onchocerca volvulus adult worms as measured by the loss of their motility or the inhibition of the conversion by the worms of the dye MTT to formazan.