(4bR,4'S,8aS,9R)-8a-hydroxy-3-methoxy-11-(3,3,3-trifluoropropyl)-5,7,8,8a,9,10-hexahydrospiro[9,4b-(epiminoethano)phenanthrene-6,4'-imidazolidine]-2',5'-dione | 1613736-16-5

• 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)-8a-hydroxy-3-methoxy-11-(3,3,3-trifluoropropyl)-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)-10-hydroxy-4-methoxy-17-(3,3,3-trifluoropropyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
• CAS: 1613736-16-5
• 化学式: C₂₂H₂₆F₃N₃O₄
• 分子量: 453.461
• InChiKey: PFBCCSPZAXFTBZ-RZXSNQJFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  90.9
• 氢给体数：
  3
• 氢受体数：
  8

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。
• 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.
• US8987287B2
  申请人：——

  公开号：US8987287B2

  公开（公告）日：2015-03-24
• US9273048B2
  申请人：——

  公开号：US9273048B2

  公开（公告）日：2016-03-01