(2S)-2-(aminodiazenyl)-N-[[(1S,2R,10S,12R,13R)-2-[cyclopropylmethyl(ethyl)amino]-7,12-dimethoxy-10-methyl-17-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-13-yl]methyl]propanamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (2S)-2-(aminodiazenyl)-N-[[(1S,2R,10S,12R,13R)-2-[cyclopropylmethyl(ethyl)amino]-7,12-dimethoxy-10-methyl-17-oxapentacyclo[10.2.2.18,11.01,10.04,9]heptadeca-4(9),5,7-trien-13-yl]methyl]propanamide
• 化学式: C₂₉H₄₃N₅O₄
• 分子量: 525.7
• InChiKey: GXJPFWUBXXXSAK-NQFKRGJFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] BUPRENORPHINE ANALOGS<br/>[FR] ANALOGUES DE LA BUPRÉNORPHINE
  申请人：PURDUE PHARMA LP

  公开号：WO2014140784A2

  公开（公告）日：2014-09-18

  The present invention is directed to Buprenorphine Analog compounds of Formula (I), (II) or (III) and including various stereoisomers (such as Formula (IA) shown below), wherein R1, R3a, R3b, R16, R15, G, Q, X, and Z 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.