(2E,4E)-9-(3,4-methylenedioxyphenyl)nona-2,4-dienoic acid | 83029-45-2

• 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-(3,4-methylenedioxyphenyl)nona-2,4-dienoic acid
• 英文别名: (2E,4E)-9-benzo[1,3]dioxol-5-yl-nona-2,4-dienoic acid；(2E,4E)-9-(1,3-benzodioxol-5-yl)nona-2,4-dienoic acid
• CAS: 83029-45-2
• 化学式: C₁₆H₁₈O₄
• 分子量: 274.317
• InChiKey: MRBFGNYYUMWSDS-REBBJWOHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2E,4E)-9-(3,4-methylenedioxyphenyl)nona-2,4-dienoic acid 在 platinum(IV) oxide 草酰氯 、 氢气 作用下， 以 乙醇 为溶剂， 反应 19.25h， 生成 N-isobutyl-9-(3,4-methylenedioxyphenyl)nonanamide
  参考文献：
  名称：

  Pring, Brian G., Journal of the Chemical Society. Perkin transactions I, 1982, p. 1493 - 1498

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-5-(benzo[d][1,3]dioxol-5-yl)pent-4-enoic acid 在 lithium aluminium tetrahydride 、 乙醇 、 palladium 10% on activated carbon 、 potassium tert-butylate 、 氢气 、 pyridinium chlorochromate 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 7.5h， 生成 (2E,4E)-9-(3,4-methylenedioxyphenyl)nona-2,4-dienoic acid
  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

文献信息

• Synthesis and biological evaluation of piperamide analogues as HDAC inhibitors
  作者：Yu Luo、Hao-Min Liu、Ming-Bo Su、Li Sheng、Yu-Bo Zhou、Jia Li、Wei Lu

  DOI：10.1016/j.bmcl.2011.06.046

  日期：2011.8

  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.
• Pring, Brian G., Journal of the Chemical Society. Perkin transactions I, 1982, p. 1493 - 1498
  作者：Pring, Brian G.

  DOI：——

  日期：——