intermediate 7 | 875318-39-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: intermediate 7
• 英文别名: Ethyl 2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxylate；ethyl 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
• CAS: 875318-39-1
• 化学式: C₂₃H₂₉N₅O₂
• 分子量: 407.516
• InChiKey: VSJMIZAYUPCJHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  6

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  2-(4-(氨基甲基)哌啶-1-基)嘧啶-5-羧酸乙酯	ethyl 2-(4-(aminomethyl)piperidin-1-yl)pyrimidine-5-carboxylate	603954-49-0	C13H20N4O2	264.327

反应信息

• 作为反应物：
  描述：

  intermediate 7 以100的产率得到
  参考文献：
  名称：

  SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE

  摘要：

  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。

  公开号：

  US20150342950A1
• 作为产物：
  描述：

  Ethyl 2-[4-[[(1-methylindol-3-yl)methylideneamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate 在 sodium tetrahydroborate 、 水 作用下， 以 甲醇 、 乙醇 、 甲苯 为溶剂， 反应 3.25h， 生成 intermediate 7
  参考文献：
  名称：

  WO2008/138918

  摘要：

  公开号：

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。
• MONO-HYDROCHLORIC SALTS OF AN INHIBITOR OF HISTONE DEACETYLASE
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2155677B1

  公开（公告）日：2014-10-01
• Aminophenyl Derivatives as Novel Inhibitors of Histone Deacetylase
  申请人：Angibaud Patrick Rene

  公开号：US20090018152A1

  公开（公告）日：2009-01-15

  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 , X and Y 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.