hexanedioic acid (2-amino-phenyl)-amide phenylamide | 537034-16-5

• 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: hexanedioic acid (2-amino-phenyl)-amide phenylamide
• 英文别名: CAY10433；N1-(aminopheny)-N7-phenylhexanediamide；Hexanediamide, N-(2-aminophenyl)-N'-phenyl-；N'-(2-aminophenyl)-N-phenylhexanediamide
• CAS: 537034-16-5
• 化学式: C₁₈H₂₁N₃O₂
• 分子量: 311.384
• InChiKey: IDPDDYDPARSMBL-UHFFFAOYSA-N

物化性质

• 沸点：
  624.1±40.0 °C(Predicted)
• 密度：
  1.236±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  84.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  脂肪酸甲酯 在 lithium hydroxide 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 1-羟基苯并三唑一水物 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 hexanedioic acid (2-amino-phenyl)-amide phenylamide
  参考文献：
  名称：

  Structural Biasing Elements for In-Cell Histone Deacetylase Paralog Selectivity

  摘要：

  We use the structural dissection of two 1,3-dioxanes with in-cell histone deacetylase (HDAC) paralog selectivity to identify key elements for selective HDAC inhibitors. We demonstrate that o-aminoanilides are inactive toward HDAC6 while apparently inhibiting deacetylases that act upon histone substrates. This finding has important clinical implications for the development of HDAC inhibitor-based treatments that do not interfere with microtubule dynamics associated with HDAC6. We also show that suberoylanilide hydroxamic acid (SAHA) alone is a nonparalog-selective HDAC inhibitor and that the 1,3-dioxane diversity appended to SAHA is essential for HDAC6 paralog selectivity.

  DOI：

  10.1021/ja0341440

文献信息

• TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20150080472A1

  公开（公告）日：2015-03-19

  The invention provides methods of treating Friedreich's ataxia using histone deacetylase inhibitors.

  本发明提供使用组蛋白去乙酰化酶抑制剂治疗弗里德赫氏共济失调的方法。
• WO2007/58927
  申请人：——

  公开号：——

  公开（公告）日：——
• HISTONE DEACETYLASE INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISEASES
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：EP1951656B1

  公开（公告）日：2015-08-05
• Histone deacetylase inhibitors as therapeutics for neurological diseases
  申请人：Jenssen Kai

  公开号：US20070219244A1

  公开（公告）日：2007-09-20

  The invention provides HDAC inhibitors that may be used as therapeutics for the treatment of a neurodegenerative or neuromuscular condition. The invention provides compounds of formula I: The invention also provides pharmaceutical compositions and articles of manufacture that include these compounds, as well as methods of treating and methods of preventing or delaying the onset of a neurodegenerative or neuromuscular condition.
• US8835502B2
  申请人：——

  公开号：US8835502B2

  公开（公告）日：2014-09-16