8-(Biphenyl-4-yloxy)-2-hydroxy-octanimidic acid ethyl ester | 866329-19-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 8-(Biphenyl-4-yloxy)-2-hydroxy-octanimidic acid ethyl ester
• CAS: 866329-19-3
• 化学式: C₂₂H₂₉NO₃
• 分子量: 355.477
• InChiKey: CWKNAZZKASDECT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.06
• 重原子数：
  26.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  62.54
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  8-(Biphenyl-4-yloxy)-2-hydroxy-octanimidic acid ethyl ester 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 生成 7-((1,1'-biphenyl)-4-yloxy)-1-(4,5-dihydro-1,3-oxazol-2-yl)-1-heptanone
  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：

  7-(1,1'-biphenyl-4-yloxy)heptan-1-ol 在 sodium hydrogensulfite 、 乙酰氯 作用下， 以 四氢呋喃 为溶剂， 生成 8-(Biphenyl-4-yloxy)-2-hydroxy-octanimidic acid ethyl 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