2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid | 875318-42-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
• CAS: 875318-42-6
• 化学式: C₂₆H₂₆N₄O₄
• 分子量: 458.517
• InChiKey: DIAPAGYRDOCXSR-UHFFFAOYSA-N

物化性质

• 密度：
  1.304±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  O-(四氢-2H-吡喃-2-基)羟基胺 、 2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 48.25h， 以89%的产率得到9H-fluoren-9-ylmethyl N-[[1-[5-(oxan-2-yloxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl]methyl]carbamate
  参考文献：
  名称：

  WO2006/136553

  摘要：

  公开号：
• 作为产物：
  描述：

  9-芴甲基-N-琥珀酰亚胺基碳酸酯 在 sodium carbonate 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 6.17h， 以100%的产率得到2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
  参考文献：
  名称：

  [EN] SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  [FR] DERIVES D'INDOLYL ALKYL AMINE SUBSTITUES UTILISES EN TANT QUE NOUVEAUX INHIBITEURS D'HISTONE DEACETYLASE

  摘要：

  这项发明包括具有组分(I)的新化合物，其中R1、R2、R3、X和Y具有定义的含义，具有组蛋白去乙酰化酶抑制酶活性；它们的制备、含有它们的组合物以及它们作为药物的用途。

  公开号：

  WO2006010750A1

文献信息

• [EN] SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] DERIVES D'INDOLYL ALKYL AMINE SUBSTITUES UTILISES EN TANT QUE NOUVEAUX INHIBITEURS D'HISTONE DEACETYLASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006010750A1

  公开（公告）日：2006-02-02

  This invention comprises the novel compounds of formula (I) wherein R1 , R2, R3, X and Y have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.

  这项发明包括具有组分(I)的新化合物，其中R1、R2、R3、X和Y具有定义的含义，具有组蛋白去乙酰化酶抑制酶活性；它们的制备、含有它们的组合物以及它们作为药物的用途。
• SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  申请人：Janssen Pharmaceutica NV

  公开号：US20150342950A1

  公开（公告）日：2015-12-03

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

  本发明涉及公式（I）中的新化合物，其中R1、R2、R3、X和Y具有定义的含义，具有组蛋白去乙酰化酶抑制酶活性；它们的制备，包含它们的组合物以及它们作为药物的用途。
• Heterocyclylalkyl Derivatives as Novel Inhibitors of Histone Deacetylase
  申请人：Roux Bruno

  公开号：US20090023726A1

  公开（公告）日：2009-01-22

  This invention comprises the novel compounds of formula (I) wherein R 1 , T, X, Y, A, n, m and p have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  申请人：Ten Holte Peter

  公开号：US20100160321A1

  公开（公告）日：2010-06-24

  This invention comprises the novel compounds of Formula (I) wherein R 1 , R 2 , R 3 , X, Y and Z have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE
  申请人：Janssen Pharmaceutica N.V.

  公开号：US20140309248A1

  公开（公告）日：2014-10-16

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