2(S),4(S),5(S),7(S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,7-di(1-methylethyl)-4-hydroxy-5-acetylamino-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]octanamide | 627863-29-0

• 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: 2(S),4(S),5(S),7(S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,7-di(1-methylethyl)-4-hydroxy-5-acetylamino-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]octanamide
• 英文别名: Aliskiren metabolite M12；(2S,4S,5S,7S)-5-acetamido-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
• CAS: 627863-29-0
• 化学式: C₃₂H₅₅N₃O₇
• 分子量: 593.805
• InChiKey: VCFHYFVMIMKBHH-FWEHEUNISA-N

物化性质

• 沸点：
  816.9±65.0 °C(Predicted)
• 密度：
  1.075±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  42
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  乙酸酐 、 阿利克仑 在 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 2(S),4(S),5(S),7(S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,7-di(1-methylethyl)-4-hydroxy-5-acetylamino-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]octanamide
  参考文献：
  名称：

  [EN] AMIDE DERIVATIVES AS INHIBITORS OF THE ENZYMATIC ACTIVITY OF RENIN
  [FR] DERIVES D'AMIDE UTILISES COMME INHIBITEURS DE L'ACTIVITE ENZYMATIQUE DE LA RENINE

  摘要：

  本发明涉及一种新型化合物的公式(I)，或其药学上可接受的盐，以及化合物的使用和制造的公式(I)或包含公式(I)化合物的药物组合物。

  公开号：

  WO2003099767A1

文献信息

• ALISKIREN MODULATION OF NEUROGENESIS
  申请人：Barlow Carrolee

  公开号：US20090197823A1

  公开（公告）日：2009-08-06

  The disclosure provides compositions and methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis by use of a renin inhibitor in combination with one or more neurogenic agents. The disclosure also includes compositions and methods for stimulating or activating the formation of new nerve cells based on the application of a renin inhibitor in combination with one or more neurogenic agents.
• MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS
  申请人：BARLOW Carrolee

  公开号：US20110046090A1

  公开（公告）日：2011-02-24

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on use of a GABA agent or GABA analog, in combination with one or more other neurogenic agents, to stimulate or activate the formation of new nerve cells.
• [EN] ALISKIREN MODULATION OF NEUROGENESIS<br/>[FR] MODULATION DE LA NEUROGENÈSE AVEC L'ALISKIREN
  申请人：BRAINCELLS INC

  公开号：WO2010111136A2

  公开（公告）日：2010-09-30

  The disclosure provides compositions and methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis by use of a renin inhibitor in combination with one or more neurogenic agents. The disclosure also includes compositions and methods for stimulating or activating the formation of new nerve cells based on the application of a renin inhibitor in combination with one or more neurogenic agents.