2-[4-[(E)-2-(3-carboxypropanoylamino)-4-phenylbut-3-enyl]piperazin-1-yl]pyrimidine-5-carboxylic acid | 944739-31-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[4-[(E)-2-(3-carboxypropanoylamino)-4-phenylbut-3-enyl]piperazin-1-yl]pyrimidine-5-carboxylic acid
• CAS: 944739-31-5
• 化学式: C₂₃H₂₇N₅O₅
• 分子量: 453.498
• InChiKey: ISRQMBBFBLWCLI-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-[4-[(E)-2-(3-carboxypropanoylamino)-4-phenylbut-3-enyl]piperazin-1-yl]pyrimidine-5-carboxylic acid 、 溶剂黄146 反应 7.0h， 以77%的产率得到
  参考文献：
  名称：

  WO2007/82874

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl 2-[4-[(E)-2-(2,5-dioxopyrrolidin-1-yl)-4-phenylbut-3-enyl]piperazin-1-yl]pyrimidine-5-carboxylate 在 lithium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 15.0h， 以65%的产率得到2-[4-[(E)-2-(3-carboxypropanoylamino)-4-phenylbut-3-enyl]piperazin-1-yl]pyrimidine-5-carboxylic acid
  参考文献：
  名称：

  WO2007/82874

  摘要：

  公开号：

文献信息

• Pyridine and Pyrimidine Derivatives as Inhibitors of Histone Deacetylase
  申请人：Marconnet-Decrane Laurence Francoise

  公开号：US20090143401A1

  公开（公告）日：2009-06-04

  This invention comprises the novel compounds of formula (I) wherein R 1 , R 2 , R 3 and X have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE
  申请人：Bernadette MARCONNET-DECRANE Laurence Françoise

  公开号：US20130143898A1

  公开（公告）日：2013-06-06

  This invention comprises the novel compounds of formula (I) wherein R 1 , R 2 , R 3 and X have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：US20140135341A1

  公开（公告）日：2014-05-15

  This invention comprises the novel compounds of formula (I) wherein R 1 , R 2 , R 3 and X have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• US8114876B2
  申请人：——

  公开号：US8114876B2

  公开（公告）日：2012-02-14
• US8664223B2
  申请人：——

  公开号：US8664223B2

  公开（公告）日：2014-03-04