compound 1 | 944465-06-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: compound 1
• 英文别名: N-(2-aminophenyl)-2-[4-[[2-(5-chloro-1-propylindol-3-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• CAS: 944465-06-9
• 化学式: C₃₀H₃₆ClN₇O
• 分子量: 546.115
• InChiKey: YXWZOBQTUWMYBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  o-phenylenediamine dihydrochloride 、 sodium 2-(4-(((2-(5-chloro-1-propyl-1H-indol-3-yl)ethyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxylate 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 48.0h， 以11%的产率得到compound 1
  参考文献：
  名称：

  WO2007/82878

  摘要：

  公开号：

文献信息

• 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.
• 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.
• US8119650B2
  申请人：——

  公开号：US8119650B2

  公开（公告）日：2012-02-21
• WO2007/82878
  申请人：——

  公开号：——

  公开（公告）日：——