(6R,6aS,12aR)-2,6a-dihydroxy-15-methyl-10-oxo-6,6a,7,10,11,12-hexahydro-5H-6,12a-(epiminoethano)naphtho[2,1-g]quinoline-9-carboxylic acid | 1613452-52-0

• 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: (6R,6aS,12aR)-2,6a-dihydroxy-15-methyl-10-oxo-6,6a,7,10,11,12-hexahydro-5H-6,12a-(epiminoethano)naphtho[2,1-g]quinoline-9-carboxylic acid
• 英文别名: (1R,10S,11R)-10,16-dihydroxy-21-methyl-5-oxo-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaene-6-carboxylic acid
• CAS: 1613452-52-0
• 化学式: C₂₁H₂₂N₂O₅
• 分子量: 382.416
• InChiKey: QXLPNDYNWMTFLV-DUXKGJEZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  110
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (6R,6aS,12aR)-6a-hydroxy-2-methoxy-15-methyl-10-oxo-6,6a,7,10,11,12-hexahyclro-5H-6,12a-(epiminoethano)naphtho[2,1-g]quinoline-9-carboxylic acid 在 碘环己烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以54%的产率得到(6R,6aS,12aR)-2,6a-dihydroxy-15-methyl-10-oxo-6,6a,7,10,11,12-hexahydro-5H-6,12a-(epiminoethano)naphtho[2,1-g]quinoline-9-carboxylic acid
  参考文献：
  名称：

  [EN] PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS
  [FR] ANALOGUES DE PYRIDONEMORPHINANE ET ACTIVITÉ BIOLOGIQUE SUR DES RÉCEPTEURS DES OPIOÏDES

  摘要：

  该应用程序涉及公式（I-A）的化合物及其药用可接受的盐和溶剂化合物，其中公式（II），R1a，R2a，R3a，R4和Za的定义如规范所述。该发明还涉及使用公式I-A的化合物来治疗对调节一个或多个阿片受体敏感的疾病，或作为合成中间体。本发明的某些化合物特别适用于治疗疼痛。

  公开号：

  WO2014091295A1

文献信息

• PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS
  申请人：Purdue Pharma LP

  公开号：EP2931724B1

  公开（公告）日：2017-01-25
• 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.
• HETEROCYCLIC MORPHINAN DERIVATIVES AND USE THEREOF
  申请人：Purdue Pharma L.P.

  公开号：US20180111934A1

  公开（公告）日：2018-04-26

  The application is directed to compounds of Formula (I) and pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2 , R 3 , R 4 , and Z are defined as set forth in the specification. In certain embodiments, the invention is also directed to compounds of Formula II-VII and the pharmaceutically acceptable salts and solvates thereof. The invention is also directed to use of compounds of Formula I to VII, and the pharmaceutically acceptable salts and solvates thereof, to treat disorders responsive to the modulation of one or more opioid receptors, or as synthetic intermediates. Certain compounds of the invention are especially useful for treating pain.
• US8980906B2
  申请人：——

  公开号：US8980906B2

  公开（公告）日：2015-03-17
• US9403824B2
  申请人：——

  公开号：US9403824B2

  公开（公告）日：2016-08-02