benzalharman | 20127-62-2

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: benzalharman
• 英文别名: 1-(2-phenylethenyl)-9H-pyrido[3,4-b]indole
• CAS: 20127-62-2
• 化学式: C₁₉H₁₄N₂
• 分子量: 270.334
• InChiKey: WUOUVVQREBRKTE-UHFFFAOYSA-N

物化性质

• 熔点：
  205 °C
• 沸点：
  503.8±19.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  哈尔满碱 、 苯甲醛 在 乙酸酐 作用下， 生成 benzalharman
  参考文献：
  名称：

  Synthesis and cytotoxic activities of 1-benzylidine substituted β-carboline derivatives

  摘要：

  A series of new beta-carboline derivatives, bearing a benzylidine substituent at position-1, has been prepared and evaluated in vitro against a panel of human cell lines. The N-2-benzylated beta-carbolinium bromates represented the most interesting cytotoxic activities. In particular, compounds 19 were found to be the most potent compounds with IC50 values lower than 5 mu M against 10 strains human tumor cell lines. These results confirmed that the N-2-benzyl substituent on the beta-carboline ring played an important role in the modulation of the cytotoxic activities and suggested that further development of such compounds may be interest. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.043