d-3-methylmorphinan | 38973-29-4

• 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: d-3-methylmorphinan
• 英文别名: 3-methoxymorphinan；(1S,9S,10S)-4-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
• CAS: 38973-29-4
• 化学式: C₁₇H₂₃N
• 分子量: 241.376
• InChiKey: BOCOJTBDLONOHJ-PVAVHDDUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二甲啡烷 在 CYP₂B₆ 作用下， 生成 d-3-methylmorphinan
  参考文献：
  名称：

  人细胞色素P450酶对Dimmorfan的氧化代谢。

  摘要：

  为了表征参与二甲莫芬氧化（DFO）的人类细胞色素P450（P450）形式，研究了人类肝微粒体和重组P450。液相色谱-质谱分析表明代谢物（M）1（在272.200时为[M + H]（+）m / z）和M2（在242.190时为[M + H]（+）m / z）为d-3-羟甲基-N-甲基吗啡喃和d-3-甲基吗啡喃。微粒体DFO的动力学分析表明，底物浓度显示M1形成的半最大速度（S（50））小于M2。微粒体M1和M2形成活性与CYP2D6标记，右美沙芬O-去甲基化活性显着相关。M2的形成活性也与CYP3A4标志物硝苯地平的氧化活性有关。微粒体M1和M2的形成对CYP2D6抑制剂帕罗西汀和CYP3A4抑制剂酮康唑的抑制作用最敏感。免疫抑制定义的P450贡献表明CYP2C9，CYP2C19和CYP2D6参与M1形成，而CYP2B6，CYP2C9，CYP2C19，CYP2D6和CYP3A4参与M2形成

  DOI：

  10.1002/jps.21866

文献信息

• COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY
  申请人：Concert Pharmaceuticals, Inc.

  公开号：US20160143902A1

  公开（公告）日：2016-05-26

  Provided herein are compositions comprising a dextromethorphan analog according to Formula I or Formula II or a pharmaceutically acceptable salt thereof of either of the foregoing, and a co-agent, e.g., an antidepressant such as a serotonin norepinephrine reuptake inhibitor; a serotonin noradrenaline dopamine reuptake inhibitor; a norepinephrine dopamine reuptake inhibitor; a monoamine oxidase inhibitor; a selective serotonin reuptake inhibitor; and a tricyclic antidepressant or a pharmaceutically acceptable salt of any of the foregoing. The compositions are useful in the the treatment of pseudobulbar affect, neuropathic pain, neurodegenerative diseases, brain injuries, and the like.

  本文提供了包含根据公式I或公式II的右美沙芬类似物或其药学上可接受的盐之一，以及辅助剂，例如抗抑郁药物，如选择性5-羟色胺和去甲肾上腺素再摄取抑制剂；5-羟色胺、去甲肾上腺素、多巴胺再摄取抑制剂；去甲肾上腺素、多巴胺再摄取抑制剂；单胺氧化酶抑制剂；选择性5-羟色胺再摄取抑制剂；三环抗抑郁药物或其中任何一种的药学上可接受的盐的组合物。这些组合物在假性球麻痹、神经痛、神经退行性疾病、脑损伤等治疗中非常有用。
• Morphinan compounds
  申请人：Concert Pharmaceuticals, Inc.

  公开号：US10022370B2

  公开（公告）日：2018-07-17

  This invention relates to novel morphinan compounds and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a σ1 receptor agonist that also has NMDA antagonist activity.

  本发明涉及新型吗啡南化合物及其药学上可接受的盐类。本发明还提供了包含本发明化合物的组合物，以及这种组合物在治疗疾病和病症的方法中的用途，这些疾病和病症通过施用同时具有 NMDA 拮抗剂活性的 σ1 受体激动剂而得到有益的治疗。
• Morphinan Compounds
  申请人：Tung Roger

  公开号：US20110230514A1

  公开（公告）日：2011-09-22

  This disclosure relates to novel morphinan compounds and their derivatives, pharmaceutically acceptable salts, solvates, and hydrates thereof. This disclosure also provides compositions comprising a compound of this disclosure and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a σ 1 receptor agonist that also has NMDA antagonist activity.
• MORPHINAN COMPOUNDS
  申请人：Graham Philip B.

  公开号：US20110257214A1

  公开（公告）日：2011-10-20

  This invention relates to novel morphinan compounds and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a σ1 receptor agonist that also has NMDA antagonist activity.
• COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLOGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY
  申请人：Thomas Amanda

  公开号：US20120053169A1

  公开（公告）日：2012-03-01

  Provided herein are compositions comprising a dextromethorphan analog according to Formula I or Formula II or a pharmaceutically acceptable salt of either of the foregoing and a co-agent, e.g., an antidepressant such as a serotonin norepinephrine reuptake inhibitor; a serotonin noradrenaline dopamine reuptake inhibitor; a norepinephrine dopamine reuptake inhibitor; a monoamine oxidase inhibitor; a selective serotonin reuptake inhibitor; and a tricyclic antidepressant or a pharmaceutically acceptable salt of any of the foregoing. The compositions are useful in the treatment of pseudobulbar affect, neuropathic pain, neurodegenerative diseases, brain injuries, and the like.