2-[(3R)-9-amino-3-methoxy-10-(2,2,2-trifluoroethyl)-12-oxa-8,10-diazatricyclo[5.5.0.01,6]dodec-8-en-7-yl]-4-(3-methylbutyl)phenol

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[(3R)-9-amino-3-methoxy-10-(2,2,2-trifluoroethyl)-12-oxa-8,10-diazatricyclo[5.5.0.01,6]dodec-8-en-7-yl]-4-(3-methylbutyl)phenol
• 化学式: C₂₃H₃₂F₃N₃O₃
• 分子量: 455.5
• InChiKey: TVXPRNFUVGKEGH-VUESDNIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  80.3
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] INHIBITORS OF BETA-SECRETASE<br/>[FR] INHIBITEURS DE BÊTA-SECRÉTASE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014035860A1

  公开（公告）日：2014-03-06

  The present invention relates to spirocyclic acylguanidines and their use as inhibitors of the β- secretase enzyme (BACE1) activity, pharmaceutical compositions containing the same, and methods of using the same as therapeutic agents in the treatment of neurodegenerative disorders, disorders characterized by cognitive decline, cognitive impairment, dementia and diseases characterized by production of β-amyloid aggregates.