(E)-N-allyl-2-(pyridin-2-ylmethylene)hydrazinecarbothioamide | 99069-90-6

• 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: (E)-N-allyl-2-(pyridin-2-ylmethylene)hydrazinecarbothioamide
• 英文别名: pyridine-2-carbaldehyd-(4-allyl thiosemicarbazone)；Pyridin-2-carbaldehyd-(4-allyl-thiosemicarbazon)；2-Pyridinecarbaldehyde 4-allyl(thiosemicarbazone)；1-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
• CAS: 99069-90-6
• 化学式: C₁₀H₁₂N₄S
• 分子量: 220.298
• InChiKey: HGUDBTHYULAESG-MDWZMJQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  吡啶-2-甲醛 、 4-丙烯基硫代氨基脲 在 乙醇 作用下， 生成 (E)-N-allyl-2-(pyridin-2-ylmethylene)hydrazinecarbothioamide
  参考文献：
  名称：

  Fujikawa et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 1231,1233

  摘要：

  DOI：

文献信息

• Fujikawa et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 1231,1233
  作者：Fujikawa et al.

  DOI：——

  日期：——
• Role of Metalation in the Topoisomerase IIα Inhibition and Antiproliferation Activity of a Series of α-Heterocyclic-N⁴-Substituted Thiosemicarbazones and Their Cu(II) Complexes
  作者：Brian M. Zeglis、Vadim Divilov、Jason S. Lewis

  DOI：10.1021/jm101532u

  日期：2011.4.14

  The topoisomerase-Il alpha inhibition and antiproliferative activity of alpha-heterocyclic thiosemicarbazones and their corresponding copper(II) complexes have been investigated. The Cu-II(thiosemicarbazonato)Cl complexes were shown to catalytically inhibit topoisomerase-Il alpha at concentrations (0.3-7.2 mu M) over an order of magnitude lower than their corresponding thiosemicarbazone ligands alone. The copper complexes were also shown to inhibit the proliferation of breast cancer cells expressing high levels of topoisomerase-Il alpha (SK-BR-3) at lower concentrations than cells expressing lower levels of the enzyme (MCF-7).