methyl 3-[2-[(1S,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethylcarbamoyl]benzoate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 6,7-苯并吗啡烷
• 英文名称: methyl 3-[2-[(1S,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethylcarbamoyl]benzoate
• 化学式: C₂₉H₃₆N₂O₄
• 分子量: 476.6
• InChiKey: LGTTXHSCKLNYIA-IFVHXUSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] BENZOMORPHAN COMPOUNDS AS OPIOID RECEPTORS MODULATORS<br/>[FR] COMPOSÉS DE TYPE BENZOMORPHANE UTILISÉS EN TANT QUE MODULATEURS DES RÉCEPTEURS AUX OPIACÉS
  申请人：PURDUE PHARMA LP

  公开号：WO2013167963A1

  公开（公告）日：2013-11-14

  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, wherein R1, R2a, R2b, R3, R4, Z, and G 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.

  本发明涉及如下所示的公式(I)、公式(IA)、公式(IB)、公式(IC)或公式(ID)的苯佐吗啡类似物化合物，其中R1、R2a、R2b、R3、R4、Z和G如本文所述定义。本发明的化合物可用于治疗疼痛、便秘和其它通过阿片和ORL-1受体的活性调节的状况。
• BENZOMORPHAN COMPOUNDS AS OPIOID RECEPTORS MODULATORS
  申请人：Purdue Pharma L.P.

  公开号：US20150210646A1

  公开（公告）日：2015-07-30

  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, wherein R 1 , R 2a , R 2b , R 3 , R 4 , Z, and G 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.

  本发明涉及以下式子所示的苯并吗啡类似物化合物的公式（I），公式（IA），公式（IB），公式（IC）或公式（ID），其中R1，R2a，R2b，R3，R4，Z和G如本文所定义。 本发明的化合物适用于治疗由阿片样和ORL-1受体活性调节的疼痛，便秘和其他症状。
• BENZOMORPHAN ANALOGS AND THE USE THEREOF
  申请人：Purdue Pharma L.P.

  公开号：US20170290816A1

  公开（公告）日：2017-10-12

  In one aspect, the invention provides compounds of Formula (I) or (II): (I) or (II) and pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2a , R 2b , R 3 , R 4 , Z and G are defined as set forth in the disclosure. The invention also provides compounds of Formulae A and B and pharmaceutically acceptable salts and solvates thereof. Other aspects of the invention include the use of compounds of Formulae I, II, A, and B, and pharmaceutically acceptable salts and solvates thereof for the treatment of disorders responsive to modulation of one or more opioid receptors. In certain embodiments, the Compounds of the Invention are useful for treating pain.