(1R,9R,10S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

• 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: (1R,9R,10S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
• 化学式: C₂₁H₂₇NO₂
• 分子量: 325.4
• InChiKey: JGIQOIGZADWCAB-NJDAHSKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 7,8-Cyclicmorphinan Analogs
  申请人：Purdue Pharma L.P.

  公开号：US20140187571A1

  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 Cy, R 1a -R 3a , R 4a , and R 4b 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.

  本申请涉及式I-A的化合物以及药用可接受的盐和溶剂化物，其中Cy、R1a-R3a、R4a和R4b的定义如说明书所述。本发明还涉及将式I-A的化合物用于治疗对一或多个阿片受体调节有反应的疾病，或作为合成中间体。本发明中的某些化合物特别适用于治疗疼痛。
• Substituted Morphinans and the Use Thereof
  申请人：Purdue Pharma L.P.

  公开号：US20140187573A1

  公开（公告）日：2014-07-03

  The application is directed to compounds of Formula I: and pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2 , R 3 , R 4a , and R 4b are defined as set forth in the specification. The invention is also directed to use of compounds of Formula I 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.

  本申请涉及式I化合物： 及其医药可接受的盐和溶剂化物，其中R1、R2、R3、R4a和R4b的定义如说明书中所述。本发明还涉及使用式I化合物来治疗对一或多个阿片受体调节有反应的疾病，或作为合成中间体。本发明中的某些化合物特别适用于治疗疼痛。
• BENZOMORPHAN ANALOGS AND THE USE THEREOF
  申请人：Purdue Pharma L.P.

  公开号：US20140221419A1

  公开（公告）日：2014-08-07

  The present invention is directed to Benzomorphan Analog compounds of the Formula I-ID as shown below, wherein R 1 , R 2a , R 2b , R 3 and R 4 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Formula I-ID的苯吗啉类似化合物，其中R1、R2a、R2b、R3和R4的定义如本文所述。本发明的化合物可用于治疗疼痛、便秘以及其他受阿片类和ORL-1受体活性调节的疾病。
• 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。
• Nitrogen Containing Morphinan Derivatives and the Use Thereof
  申请人：Purdue Pharma L.P.

  公开号：US20140171461A1

  公开（公告）日：2014-06-19

  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 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.