7-Oxazol-2-yl-7-oxo-heptanoic acid methyl ester | 866332-01-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-Oxazol-2-yl-7-oxo-heptanoic acid methyl ester
• CAS: 866332-01-6
• 化学式: C₁₁H₁₅NO₄
• 分子量: 225.244
• InChiKey: HZNJPAXMNDGERW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.98
• 重原子数：
  16.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  69.4
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  7-Oxazol-2-yl-7-oxo-heptanoic acid methyl ester 在 lithium hydroxide 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 生成 7-Oxazol-2-yl-7-oxo-heptanoic acid 4-chloro-benzylamide
  参考文献：
  名称：

  Heterocyclic ketones as inhibitors of histone deacetylase

  摘要：

  Several heterocyclic ketones were investigated as potential inhibitors of histone deacetylase. Nanomolar inhibitors such as 22 and 25 were obtained, the anti-proliferative activity of which were shown to be mediated by HDAC inhibition. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2003.09.007
• 作为产物：
  描述：

  恶唑 、 Methylpimeloyl chloride 生成 7-Oxazol-2-yl-7-oxo-heptanoic acid methyl ester
  参考文献：
  名称：

  Heterocyclic ketones as inhibitors of histone deacetylase

  摘要：

  Several heterocyclic ketones were investigated as potential inhibitors of histone deacetylase. Nanomolar inhibitors such as 22 and 25 were obtained, the anti-proliferative activity of which were shown to be mediated by HDAC inhibition. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2003.09.007