2-[(E)-[4-(methylamino)-4-oxo-1-[3-oxo-4-[(5S)-9-[(1S)-3-propylcyclohexyl]-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-yl]butylidene]amino]oxyacetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-[(E)-[4-(methylamino)-4-oxo-1-[3-oxo-4-[(5S)-9-[(1S)-3-propylcyclohexyl]-9-azabicyclo[3.3.1]nonan-3-yl]quinoxalin-2-yl]butylidene]amino]oxyacetic acid
• 化学式: C₃₂H₄₅N₅O₅
• 分子量: 579.7
• InChiKey: LJSKEZLGXAMEQG-GRIJIEQJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] OXIME/SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE PIPÉRIDINE DE TYPE QUINOXALINE SUBSTITUÉE PAR OXIME ET LEURS UTILISATIONS
  申请人：PURDUE PHARMA LP

  公开号：WO2014102592A2

  公开（公告）日：2014-07-03

  The present disclosure relates to Oxime-Substituted Quinoxaline-Type Piperidine Compounds, such as of those of Formula (I): and the pharmaceutically acceptable salts and solvates thereof, wherein R1, R2, R3, R4, R20, R21, Q, Y1, Z, A, B, and a are as defined herein; compositions comprising an effective amount of an Oxime- Substituted Quinoxaline-Type Piperidine Compound, and methods to treat or prevent a condition, such as pain, comprising administering to an animal in need thereof an effective amount of an Oxime- Substituted Quinoxaline-Type Piperidine Compound.