compound 1 | 944465-45-6

• 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: compound 1
• 英文别名: N-hydroxy-2-[4-[[1-(1-methylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• CAS: 944465-45-6
• 化学式: C₂₂H₂₈N₆O₂
• 分子量: 408.503
• InChiKey: KPHJLNQUXWEUOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  95.3
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  intermediate 3 在 三氟乙酸 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以18%的产率得到compound 1
  参考文献：
  名称：

  WO2007/82882

  摘要：

  公开号：

文献信息

• Substituted Indolyl-Alkyl-Amino-Derivatives as Inhibitors of Histone Deacetylase
  申请人：Angibaud Patrick Rene

  公开号：US20090018153A1

  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 , 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：Angibaud Patrick René

  公开号：US20110118291A1

  公开（公告）日：2011-05-19

  This invention comprises the novel compounds of formula (1) wherein R 1 , R 2 , R 3 , R 4 , R 5 , X and Y have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS
  申请人：Larsson Pia

  公开号：US20140051716A1

  公开（公告）日：2014-02-20

  There is provided a compound which is a histone deacetylase (HDAC) inhibitor, or a pharmaceutically acceptable ester, amide, solvate or salt thereof, for use in: (I) treating or preventing a pathological condition associated with excess fibrin deposition and/or thrombus formation; and/or (II) potentiating the degradation of fibrin deposits and preventing such deposits associated with pathological conditions or which may lead to such conditions, wherein the HDAC inhibitor, and the dose thereof, is as described in the description. There is also provided valproic acid, or a pharmaceutically acceptable salt thereof, for use in improving or normalizing endogenous fibrinolysis impaired by local or systemic inflammation.
• US7834025B2
  申请人：——

  公开号：US7834025B2

  公开（公告）日：2010-11-16
• US8163765B2
  申请人：——

  公开号：US8163765B2

  公开（公告）日：2012-04-24