3-[(1R,9R,13S)-13-hydroxy-1,4,10-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]benzonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-[(1R,9R,13S)-13-hydroxy-1,4,10-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]benzonitrile
• 化学式: C₂₂H₂₄N₂O
• 分子量: 332.4
• InChiKey: FAPXQFLDJKNFOB-YPAWHYETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Benzomorphan Analogs and the Use Thereof
  申请人：LOCKMAN Jeffrey

  公开号：US20140135351A1

  公开（公告）日：2014-05-15

  The present invention is directed to Benzomorphan Analog compounds of the Formula I″, Formula IA″, Formula IB″, Formula IC″, or Formula ID″ as shown below; and related Formula I′, Formula IA′, Formula IB′, Formula IC′, or Formula ID′; Formula I, Formula IA, Formula IB, Formula IC, or Formula ID; wherein R 1 , R 2a , R 2b , R 3 and R 4 are as defined herein. Compounds of the Invention are useful for treating pain, constipation, and other conditions modulated by activity of opioid and ORL-1 receptors.

  本发明涉及以下所示的Formula I″、Formula IA″、Formula IB″、Formula IC″或Formula ID″的苯吗啡类似物化合物；以及相关的Formula I′、Formula IA′、Formula IB′、Formula IC′或Formula ID′；Formula I、Formula IA、Formula IB、Formula IC或Formula ID；其中R1、R2a、R2b、R3和R4如本文所定义。本发明的化合物可用于治疗疼痛、便秘以及受阿片类和ORL-1受体活性调节的其他疾病。