(2E,4E)-9-benzo[1,3]dioxol-5-yl-nona-2,4-dienoic acid ethyl ester | 1331780-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: (2E,4E)-9-benzo[1,3]dioxol-5-yl-nona-2,4-dienoic acid ethyl ester
• CAS: 1331780-83-6
• 化学式: C₁₈H₂₂O₄
• 分子量: 302.37
• InChiKey: GLEVLNAIMRIZLO-ONNLMXTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (2E,4E)-9-benzo[1,3]dioxol-5-yl-nona-2,4-dienoic acid ethyl ester 在 草酰氯 、 乙醇 、 N,N-二甲基甲酰胺 、 potassium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of piperamide analogues as HDAC inhibitors

  摘要：

  Two natural piperamides (piperlonguminine and refrofractamide A) and their derivatives were synthesized and evaluated for inhibitory activity against histone deacetylases, as well as the HCT-116 human colon cancer cell line. The preliminary structure activity relationship was discussed. Compounds featuring a hydroxamic acid moiety exhibited moderate HDAC activity and in vitro cytotoxicity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.046
• 作为产物：
  描述：

  5-(3,4-methylenedioxyphenyl)pentan-1-ol 在 potassium tert-butylate 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.5h， 生成 (2E,4E)-9-benzo[1,3]dioxol-5-yl-nona-2,4-dienoic acid ethyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of piperamide analogues as HDAC inhibitors

  摘要：

  Two natural piperamides (piperlonguminine and refrofractamide A) and their derivatives were synthesized and evaluated for inhibitory activity against histone deacetylases, as well as the HCT-116 human colon cancer cell line. The preliminary structure activity relationship was discussed. Compounds featuring a hydroxamic acid moiety exhibited moderate HDAC activity and in vitro cytotoxicity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.046