ethyl 2-[4-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate | 944541-49-5

• 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: ethyl 2-[4-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
• CAS: 944541-49-5
• 化学式: C₂₁H₂₆N₄O₃
• 分子量: 382.462
• InChiKey: WVGIOQHKALOMAN-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 2-[4-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 48.0h， 以72%的产率得到2-[4-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
  参考文献：
  名称：

  [EN] SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  [FR] DERIVES DE PIPERAZINE DE PROPENYLE SUBSTITUEE COMME NOUVEAUX INHIBITEURS DE L'HISTONE DEACETYLASE

  摘要：

  公开号：

  WO2006010749A3
• 作为产物：
  描述：

  乙醇醛二聚体 、 2-(哌嗪-1-基)嘧啶-5-羧酸乙酯 、 [(E)-2-苯基乙烯基]硼酸 以 乙醇 为溶剂， 反应 48.0h， 以61%的产率得到ethyl 2-[4-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  [FR] DERIVES DE PIPERAZINE DE PROPENYLE SUBSTITUEE COMME NOUVEAUX INHIBITEURS DE L'HISTONE DEACETYLASE

  摘要：

  公开号：

  WO2006010749A3

文献信息

• [EN] SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] DERIVES DE PIPERAZINE DE PROPENYLE SUBSTITUEE COMME NOUVEAUX INHIBITEURS DE L'HISTONE DEACETYLASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006010749A3

  公开（公告）日：2006-06-08
• SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  申请人：Van Brandt Anna Sven Franciscus

  公开号：US20070135424A1

  公开（公告）日：2007-06-14

  This invention comprises the novel compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 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：Angibaud Patrick Rene

  公开号：US20090005393A1

  公开（公告）日：2009-01-01

  This invention comprises the novel compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 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.