[(1S,3S)-3-amino-3-(2-chlorophenyl)-2-oxocyclohexyl] 4-(morpholin-4-ylmethyl)benzoate | 1430202-66-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(1S,3S)-3-amino-3-(2-chlorophenyl)-2-oxocyclohexyl] 4-(morpholin-4-ylmethyl)benzoate
• CAS: 1430202-66-6
• 化学式: C₂₄H₂₇ClN₂O₄
• 分子量: 442.942
• InChiKey: GACVZUIXXPYENF-URXFXBBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  [(1S,3S)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxocyclohexyl] 4-(morpholin-4-ylmethyl)benzoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以40%的产率得到[(1S,3S)-3-amino-3-(2-chlorophenyl)-2-oxocyclohexyl] 4-(morpholin-4-ylmethyl)benzoate
  参考文献：
  名称：

  [EN] USE OF LONG-ACTING AND LOW-ADDICTION HNK DERIVATIVE FOR PREPARING MEDICAMENT
  [FR] UTILISATION D'UN DÉRIVÉ HNK À ACTION PROLONGÉE ET À FAIBLE DÉPENDANCE POUR LA PRÉPARATION D'UN MÉDICAMENT
  [ZH] 一种长效低成瘾性HNK衍生物在制备药物中的应用

  摘要：

  本申请涉及一种化合物在制备预防或治疗抗抑郁、麻醉、镇痛、改善认知功能、肺保护、肌萎缩侧索硬化症或复杂性区域疼痛综合症药物中的应用。本申请的化合物与现有已知的HNK类化合物相比具有更长的药效时间，而且，本申请的化合物基本不会产生成瘾性。

  公开号：

  WO2022041175A1

文献信息

• [EN] LONG-ACTING LOW-ADDICTION HNK DERIVATIVE AND PREPARATION METHOD THEREFOR<br/>[FR] DÉRIVÉ HNK À FAIBLE DÉPENDANCE À ACTION PROLONGÉE ET SON PROCÉDÉ DE PRÉPARATION<br/>[ZH] 一种长效低成瘾性HNK衍生物及其制备方法
  申请人：SHENZHEN RUIJIAN BIOTECHNOLOGY CO LTD

  公开号：WO2022041174A1

  公开（公告）日：2022-03-03

  本申请涉及一种具有抗抑郁、改善焦虑和创伤后应激综合症、麻醉、镇痛、改善认知功能、肺保护、预防或治疗肌萎缩侧索硬化症或预防或治疗复杂性区域疼痛综合症的化合物。本申请的化合物与现有已知的HNK类化合物相比具有更长的药效时间，而且，本申请的化合物基本不会产生成瘾性。
• THE USE OF (2R, 6R)-HYDROXYNORKETAMINE, (S)-DEHYDRONORKETAMINE AND OTHER STEREOISOMERIC DEHYDRO AND HYDROXYLATED METABOLITES OF (R,S)- KETAMINE IN THE TREATMENT OF DEPRESSION AND NEUROPATHIC PAIN
  申请人：The United State of America, as Represented by the Secretary, Department od Health and Human Service

  公开号：US20140296241A1

  公开（公告）日：2014-10-02

  The disclosure provides pharmaceutical preparations containing (2R,6R)-hydroxynorketamine, or (R)- or (S)-dehydronorketamine, or other stereoisomeric dehydro or hydroxylated ketamine metabolite. (2R,6R)-hydroxynorketamine The disclosure also provides novel ketamine metabolite prodrugs. The disclosure provides methods of treating, bipolar depression, major depressive disorder, neuropathic and chronic pain, including complex regional pain disorder (CRPS) by administering a purified ketamine metabolite or a ketamine metabolite prodrug directly to patients in need of such treatment.
• USE OF (2R, 6R)-HYDROXYNORKETAMINE, (S)-DEHYDRONORKETAMINE AND OTHER STEREOISOMERIC DEHYDRO AND HYDROXYLATED METABOLITES OF (R,S)- KETAMINE IN THE TREATMENT OF DEPRESSION AND NEUROPATHIC PAIN
  申请人：THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：US20170049780A1

  公开（公告）日：2017-02-23

  The disclosure provides pharmaceutical preparations containing (2R,6R)-hydroxynorketamine, or (R)- or (S)-dehydronorketamine, or other stereoisomeric dehydro or hydroxylated ketamine metabolite. (2R,6R)-hydroxynorketamine The disclosure also provides novel ketamine metabolite prodrugs. The disclosure provides methods of treating, bipolar depression, major depressive disorder, neuropathic and chronic pain, including complex regional pain synthetic pain disorder (CRPD) by administering a purified ketamine metabolite or a ketamine metabolite prodrug directly to patients in need of such treatment.
• METHODS OF USING (2R, 6R)-HYDROXYNORKETAMINE AND (2S, 6S)-HYDROXYNORKETAMINE IN THE TREATMENT OF DEPRESSION, ANXIETY, ANHEDONIA, FATIGUE, SUICIDAL IDEATION, AND POST TRAUMATIC STRESS DISORDERS
  申请人：The Uinited States of America, as represented by the Secretary, Department of Health and Human Serv

  公开号：US20190083420A1

  公开（公告）日：2019-03-21

  Disclosed is a method of treating Psychotic Depression, Suicidal Ideation, Disruptive Mood Dysregulation Disorder, Persistent Depressive Disorder (Dysthymia), Premenstrual Dysphoric Disorder, Substance/Medication-Induced Depressive Disorder, Depressive Disorder Due to Another Medical Condition, Other Specified Depressive Disorder, Unspecified Depressive Disorder, Separation Anxiety Disorder, Selective Mutism, Specific Phobia, Social Anxiety Disorder (Social Phobia), Panic Disorder, Panic Attack (Specifier), Agoraphobia, Generalized Anxiety Disorder, Substance/Medication-Induced Anxiety Disorder, Anxiety Disorder Due to Another Medical, Other Specified Anxiety Disorder, Unspecified Anxiety Disorder, or fatigue the method including administering a pharmaceutical composition containing an effective amount of an active agent, wherein the active agent is purified (2R,6R)-hydroxynorketamine, purified (2S,6S)-hydroxynorketamine, or a combination thereof, or a pharmaceutically acceptable salt thereof, together with a pharmaceutically acceptable carrier to a patient in need of such treatment.
• USE OF (2R, 6R)-HYDROXYNORKETAMINE, (S)-DEHYDRONORKETAMINE AND OTHER STEREOISOMERIC DEHYDRO AND HYDROXYLATED METABOLITES OF (R,S)-KETAMINE IN THE TREATMENT OF DEPRESSION AND NEUROPATHIC PAIN
  申请人：THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC

  公开号：US20200360393A1

  公开（公告）日：2020-11-19

  The disclosure provides pharmaceutical preparations containing (2R,6R)-hydroxynorketamine, or (R)- or (S)-dehydronorketamine , or other stereoisomeric dehydro or hydroxylated ketamine metabolite. (2R,6R)-Hydroxynorketamine The disclosure also provides novel ketamine metabolite prodrugs. The disclosure provides methods of treating, bipolar depression, major depressive disorder, neuropathic and chronic pain, including complex regional pain synthetic pain disorder (CRPD) by administering a purified ketamine metabolite or a ketamine metabolite prodrug directly to patients in need of such treatment.