N-(5-Phenylcarbamoyl-pentyl)-malonamic acid ethyl ester | 860314-98-3

• 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: N-(5-Phenylcarbamoyl-pentyl)-malonamic acid ethyl ester
• CAS: 860314-98-3
• 化学式: C₁₇H₂₄N₂O₄
• 分子量: 320.389
• InChiKey: LEPQPTSKVLTZOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.25
• 重原子数：
  23.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  84.5
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(5-Phenylcarbamoyl-pentyl)-malonamic acid ethyl ester 在 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 以28%的产率得到
  参考文献：
  名称：

  Design and synthesis of non-hydroxamate histone deacetylase inhibitors: identification of a selective histone acetylating agent

  摘要：

  A series of suberoylanilide hydroxamic acid (SAHA)-based non-hydroxamates was designed, synthesized, and evaluated for their histone deacetylase (HDAC) inhibitory activity. Among these, methyl sulfoxide 15 inhibited HDACs in enzyme assays and caused hyperacetylation of histone H4 while not inducing the accumulation of acetylated alpha-tubulin in HCT116 cells. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.002
• 作为产物：
  描述：

  庚二酸 在 palladium on activated charcoal 二苯基膦叠氮化物 、 氢气 、 1-羟基苯并三唑一水物 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 33.0h， 生成 N-(5-Phenylcarbamoyl-pentyl)-malonamic acid ethyl ester
  参考文献：
  名称：

  Design and synthesis of non-hydroxamate histone deacetylase inhibitors: identification of a selective histone acetylating agent

  摘要：

  A series of suberoylanilide hydroxamic acid (SAHA)-based non-hydroxamates was designed, synthesized, and evaluated for their histone deacetylase (HDAC) inhibitory activity. Among these, methyl sulfoxide 15 inhibited HDACs in enzyme assays and caused hyperacetylation of histone H4 while not inducing the accumulation of acetylated alpha-tubulin in HCT116 cells. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.002