(Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid | 7505-04-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (Z)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid
• CAS: 7505-04-6
• 化学式: C₁₄H₁₄O₆
• 分子量: 278.26
• InChiKey: YRDJGRFNTNGPLT-YHYXMXQVSA-N

物化性质

• 沸点：
  456.1±33.0 °C(Predicted)
• 密度：
  1.353±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2932999099

文献信息

• COMPOUNDS FOR CANCER THERAPY
  申请人：CHEN Yi-Lin

  公开号：US20110178171A1

  公开（公告）日：2011-07-21

  A method of inhibiting the cellular proliferation of at least one selected from the group consisting of androgen dependent prostate cancer cells, androgen independent prostate cancer cells, oral cancer cells, liver cancer cells (hepatoma), and gastric cancer cells in a subject is provided, wherein the method comprises administrating to the subject an effective amount of an active component selected from the group consisting of Z form isochaihulactone (Z-K8) of the following formula (I), E form isochaihulactone (E-K8) of the following formula (II), a pharmaceutically acceptable salt of Z-K8 or E-K8, a pharmaceutically acceptable ester of Z-K8 or E-K8, and combinations thereof: and R is H, alkoxy, or aryl. Also provided is a method for manufacturing Z-K8 and E-K8.