17-ethoxycarbonyl-3-hydroxy-morphinan | 58434-39-2

• 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: 17-ethoxycarbonyl-3-hydroxy-morphinan
• 英文别名: ethyl (1R,9R,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxylate
• CAS: 58434-39-2
• 化学式: C₁₉H₂₅NO₃
• 分子量: 315.412
• InChiKey: GNZVOMHQLAKDAV-KVSKMBFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  17-ethoxycarbonyl-3-hydroxy-morphinan 在 盐酸 、 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 左洛啡烷
  参考文献：
  名称：

  Mixed κ agonists and μ agonists/Antagonists as potential pharmacotherapeutics for cocaine abuse: synthesis and opioid receptor binding affinity of N-substituted derivatives of morphinan

  摘要：

  A series of new N-substituted derivatives of morphinan was synthesized and their binding affinity for the three opioid receptors (mu, delta, and kappa) was determined. A paradoxical effect of N-propargyl (MCL-117) and N-(3-iodoprop-(2E)-enyl) (MCL-118) substituents on the binding affinities for the mu and kappa opioid receptors was observed. All of these novel derivatives showed a preference for the mu and kappa versus delta binding. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00543-1
• 作为产物：
  描述：

  左啡诺 在 sodium hydroxide 、 potassium carbonate 作用下， 以 甲醇 、 氯仿 为溶剂， 生成 17-ethoxycarbonyl-3-hydroxy-morphinan
  参考文献：
  名称：

  Mixed κ agonists and μ agonists/Antagonists as potential pharmacotherapeutics for cocaine abuse: synthesis and opioid receptor binding affinity of N-substituted derivatives of morphinan

  摘要：

  A series of new N-substituted derivatives of morphinan was synthesized and their binding affinity for the three opioid receptors (mu, delta, and kappa) was determined. A paradoxical effect of N-propargyl (MCL-117) and N-(3-iodoprop-(2E)-enyl) (MCL-118) substituents on the binding affinities for the mu and kappa opioid receptors was observed. All of these novel derivatives showed a preference for the mu and kappa versus delta binding. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00543-1

文献信息

• [EN] DEUTERATED MORPHINAN COMPOUNDS FOR USE IN TREATING AGITATION<br/>[FR] COMPOSÉS DE MORPHINANE DEUTÉRÉ POUR LE TRAITEMENT DE L'AGITATION
  申请人：CONCERT PHARMACEUTICALS INC

  公开号：WO2017020014A1

  公开（公告）日：2017-02-02

  This invention relates to methods of treating agitation comprising administering a morphinan compound or a pharmaceutically acceptable salt thereof. This invention also provides the use in methods of treating agitation and related disorders with such a morphinan compound in combination with quinidine, or pharmaceutically acceptable salt of either or both thereof.

  这项发明涉及治疗激动的方法，包括给予吗啡喃化合物或其药用可接受的盐。此发明还提供了在治疗激动和相关障碍的方法中使用这种吗啡喃化合物与奎尼丁或两者的药用可接受的盐的组合。
• 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。
• Combination of morphinan compounds and antidepressant for the treatment of pseudobulbar affect
  申请人：CONCERT PHARMACEUTICALS, INC.

  公开号：EP2397158A2

  公开（公告）日：2011-12-21

  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 treatment of pseudobulbar affect, neuropathic pain, neurodegenerative diseases, brain injuries, and the like.

  本文提供的组合物包含根据式 I 或式 II 的右美沙芬类似物或上述任一种的药学上可接受的盐，以及一种共用试剂，例如抗抑郁剂，如 5-羟色胺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；三环类抗抑郁剂或上述任一种的药学上可接受的盐。这些组合物可用于治疗假性布巴效应、神经性疼痛、神经退行性疾病、脑损伤等。
• Combination of morphinan compounds and antidepressant for the treatment of intractable and chronic pain
  申请人：CONCERT PHARMACEUTICALS, INC.

  公开号：EP2397159A2

  公开（公告）日：2011-12-21

  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, eg., 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.

  本文提供的组合物包含符合式 I 或式 II 的右美沙芬类似物或上述任一物质的药学上可接受的盐和一种辅助试剂，例如抗抑郁剂，如血清素去甲肾上腺素再摄取抑制剂；血清素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；选择性血清素再摄取抑制剂；三环类抗抑郁剂或上述任一种药物学上可接受的盐。这些组合物可用于治疗假性脑梗塞、神经性疼痛、神经退行性疾病、脑损伤等。
• Deuterated morphinane compounds
  申请人：Concert Pharmaceuticals Inc.

  公开号：EP2418211A1

  公开（公告）日：2012-02-15

  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 a1 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 a1 受体激动剂而得到有益的治疗。