2-[[(1R,9R,10S)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-12-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-13-yl]carbamoyl]prop-2-enoic acid

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: 2-[[(1R,9R,10S)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-12-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-13-yl]carbamoyl]prop-2-enoic acid
• 化学式: C₂₆H₃₂N₂O₅
• 分子量: 452.5
• InChiKey: ZLHQXTIIYDADIP-DNRSQYFGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  99.1
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Pyridonemorphinan Analogs and Biological Activity on Opioid Receptors
  申请人：Purdue Pharma L.P.

  公开号：US20140187549A1

  公开（公告）日：2014-07-03

  The application is directed to compounds of Formula I-A and pharmaceutically acceptable salts and solvates thereof, wherein , R 1a , R 3a , R 4 , Y and Z a are defined as set forth in the specification. The invention is also directed to use of compounds of Formula I-A to treat disorders responsive to the modulation of one or more opioid receptors, or as synthetic intermediates. Certain compounds of the present invention are especially useful for treating pain.
• US8980906B2
  申请人：——

  公开号：US8980906B2

  公开（公告）日：2015-03-17