(E)-3-(5-((E)-3-(3-Chlorophenyl)-3-oxoprop-1-enyl)furan-2-yl)-N-hydroxyacrylamide | 1019735-30-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-3-(5-((E)-3-(3-Chlorophenyl)-3-oxoprop-1-enyl)furan-2-yl)-N-hydroxyacrylamide
• 英文别名: (E)-3-[5-[(E)-3-(3-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]-N-hydroxyprop-2-enamide
• CAS: 1019735-30-8
• 化学式: C₁₆H₁₂ClNO₄
• 分子量: 317.729
• InChiKey: CRBAZYVHOGXXRG-CDJQDVQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (E)-3-{5-[(E)-3-(3-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl}acrylic acid 在 草酰氯 、 N,N-二甲基甲酰胺 、 盐酸羟胺 、 三乙胺 作用下， 以 二氯甲烷 、 四氢呋喃 、 水 为溶剂， 反应 1.17h， 以37.3%的产率得到(E)-3-(5-((E)-3-(3-Chlorophenyl)-3-oxoprop-1-enyl)furan-2-yl)-N-hydroxyacrylamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel compounds with conjugated structure as anti-tumor agents

  摘要：

  A series of hydroxamic acids with conjugated structure was designed and synthesized to explore the possible HDAC subtype selectivity by testing these compounds against recombinant human HDAC1 and HDAC4. The most selective compound resulted 5a, with a SI of 11.9. The enzymatic inhibitory activity of these conjugated compounds was relatively weak; however, some of these compounds showed significant effect in inducing apoptosis. Moreover, the anti-proliferative activity in cancer cells resulted quite promising, especially in the HCT119 cell line. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.07.066

文献信息

• Design, synthesis and biological evaluation of novel compounds with conjugated structure as anti-tumor agents
  作者：Hong Su、Angela Nebbioso、Vincenzo Carafa、Yadong Chen、Bo Yang、Lucia Altucci、Qidong You

  DOI：10.1016/j.bmc.2008.07.066

  日期：2008.9

  A series of hydroxamic acids with conjugated structure was designed and synthesized to explore the possible HDAC subtype selectivity by testing these compounds against recombinant human HDAC1 and HDAC4. The most selective compound resulted 5a, with a SI of 11.9. The enzymatic inhibitory activity of these conjugated compounds was relatively weak; however, some of these compounds showed significant effect in inducing apoptosis. Moreover, the anti-proliferative activity in cancer cells resulted quite promising, especially in the HCT119 cell line. (C) 2008 Elsevier Ltd. All rights reserved.