(4bR,4'S,8aS,9R)-3,8a-dihydroxy-11-isopentyl-5,7,8,8a,9,10-hexahydrospiro[9,4b-(epiminoethano)phenanthrene-6,4'-imidazolidine]-2',5'-dione | 1613736-27-8

• 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: (4bR,4'S,8aS,9R)-3,8a-dihydroxy-11-isopentyl-5,7,8,8a,9,10-hexahydrospiro[9,4b-(epiminoethano)phenanthrene-6,4'-imidazolidine]-2',5'-dione
• 英文别名: (1R,9R,10S,13S)-4,10-dihydroxy-17-(3-methylbutyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
• CAS: 1613736-27-8
• 化学式: C₂₃H₃₁N₃O₄
• 分子量: 413.517
• InChiKey: XUVRMYMLQPQIHH-TWHAJKEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  102
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• [EN] SPIROCYCLIC MORPHINANS AND THEIR USE<br/>[FR] MORPHINANES SPIROCYCLIQUES ET LEUR UTILISATION
  申请人：PURDUE PHARMA LP

  公开号：WO2014091297A1

  公开（公告）日：2014-06-19

  The application is directed to compounds of Formula (I'-Α), and especially to compounds of Formula (I-A) and pharmaceutically acceptable salts and solvates thereof, wherein R1a-R5a, Y, Za are defined as set forth in the specification. The invention is also directed to use of compounds of Formula (I'-Α), and especially 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.

  该申请涉及公式(I'-Α)的化合物，特别是公式(I-A)的化合物以及其药用盐和溶剂合物，其中R1a-R5a、Y、Za的定义如规范中所述。该发明还涉及使用公式(I'-Α)的化合物，特别是公式(I-A)的化合物，来治疗对一个或多个阿片受体调节敏感的疾病，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。
• [EN] SPIROCYCLIC MORPHINANS AND USE THEREOF<br/>[FR] MORPHINANES SPIROCYCLIQUES ET UTILISATION ASSOCIÉE
  申请人：PURDUE PHARMA LP

  公开号：WO2015183780A1

  公开（公告）日：2015-12-03

  In one aspect, the invention provides compounds of Formula I: (I) and pharmaceutically acceptable salts and solvates thereof, wherein R1, R2, R3, R4, R5, Y, Za are defined as set forth in the disclosure. The invention also provides compounds of any one of Formulae II to VII, IA to IC, and IIA to IIC, and pharmaceutically acceptable salts and solvates thereof. Other aspects of the invention include the use of compounds of Formulae I to VII, IA to IC, and IIA to IIC, and pharmaceutically acceptable salts and solvates thereof for the treatment of disorders responsive to modulation of one or more opioid receptors. In certain embodiments, the Compounds of the Invention are useful for treating pain.

  本发明提供了公式I的化合物及其药学上可接受的盐和溶剂化物，其中R1、R2、R3、R4、R5、Y、Za如本公开说明所述。本发明还提供了任一公式II至VII、IA至IC和IIA至IIC的化合物及其药学上可接受的盐和溶剂化物。本发明的其他方面包括使用公式I至VII、IA至IC和IIA至IIC的化合物及其药学上可接受的盐和溶剂化物，治疗对一种或多种阿片受体调节敏感的疾病。在某些实施例中，本发明的化合物可用于治疗疼痛。
• Spirocyclic morphinans and use thereof
  申请人：Purdue Pharma L.P.

  公开号：US10030021B2

  公开（公告）日：2018-07-24

  In one aspect, the invention provides compounds of Formula I: (I) and pharmaceutically acceptable salts and solvates thereof, wherein R1, R2, R3, R4, R5, Y, Za are defined as set forth in the disclosure. The invention also provides compounds of any one of Formulae II to VII, IA to IC, and IIA to IIC, and pharmaceutically acceptable salts and solvates thereof. Other aspects of the invention include the use of compounds of Formulae I to VII, IA to IC, and IIA to IIC, and pharmaceutically acceptable salts and solvates thereof for the treatment of disorders responsive to modulation of one or more opioid receptors. In certain embodiments, the Compounds of the Invention are useful for treating pain.

  在一个方面，本发明提供了式 I：(I)的化合物及其药学上可接受的盐和溶解物，其中 R1、R2、R3、R4、R5、Y、Za 的定义如公开内容所述。本发明还提供了式 II 至 VII、IA 至 IC 和 IIA 至 IIC 中任一项的化合物及其药学上可接受的盐和溶液。本发明的其它方面包括将式I至VII、IA至IC和IIA至IIC的化合物及其药学上可接受的盐和溶液用于治疗对一种或多种阿片受体的调节有反应的疾病。在某些实施方案中，本发明化合物可用于治疗疼痛。
• SPIROCYCLIC MORPHINANS AND THEIR USE
  申请人：Purdue Pharma LP

  公开号：EP2931726B1

  公开（公告）日：2017-01-25
• Spirocyclic Morphinans and Their Use
  申请人：Purdue Pharma L.P.

  公开号：US20140179724A1

  公开（公告）日：2014-06-26

  The application is directed to compounds of Formula I′-A especially to compounds of Formula I-A and pharmaceutically acceptable salts and solvates thereof, wherein R 1a -R 5a , Y, Z are defined as set forth in the specification. The invention is also directed to use of compounds of Formula I′-A, and especially 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.