5-[(E)-4-hydroxystyryl]furan-2-carboxylic acid | 1065477-44-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• 英文名称: 5-[(E)-4-hydroxystyryl]furan-2-carboxylic acid
• CAS: 1065477-44-2
• 化学式: C₁₃H₁₀O₄
• 分子量: 230.22
• InChiKey: MIRKCMLBSIUBMW-ZZXKWVIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.67
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-[(E)-4-hydroxystyryl]furan-2-carboxylic 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41.4%的产率得到(E)-N-Hydroxy-5-(4-hydroxystyryl)furan-2-carboxamide
  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
• 作为产物：
  描述：

  methyl 5-[(E)-4-hydroxystyryl]furan-2-carboxylate 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以66.3%的产率得到5-[(E)-4-hydroxystyryl]furan-2-carboxylic acid
  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