1-(4-(3-chlorophenyl)piperazin-1-yl)-3-phenoxypropan-2-ol | 1668-42-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-(3-chlorophenyl)piperazin-1-yl)-3-phenoxypropan-2-ol
• 英文别名: 1-[4-(3-chloro-phenyl)-piperazino]-3-phenoxy-propan-2-ol；1-[4-(3-Chlor-phenyl)-piperazino]-3-phenoxy-propan-2-ol；1-[4-(3-Chlorophenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
• CAS: 1668-42-4
• 化学式: C₁₉H₂₃ClN₂O₂
• 分子量: 346.857
• InChiKey: YFIBQIOYSRTVMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  35.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯基缩水甘油醚 、 1-(3-氯苯基)哌嗪 生成 1-(4-(3-chlorophenyl)piperazin-1-yl)-3-phenoxypropan-2-ol
  参考文献：
  名称：

  Derivatives of Piperazine. XXXII. 1-Aryl-4-(2-hydroxy-3-aryloxypropyl)-piperazines

  摘要：

  DOI：

  10.1021/jo01106a032

文献信息

• [EN] DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS<br/>[FR] INHIBITEURS DOUBLES DE NAV1.2/5HT2A POUR TRAITER DES TROUBLES DU SNC
  申请人：SUNOVION PHARMACEUTICALS INC

  公开号：WO2018026371A1

  公开（公告）日：2018-02-08

  Compounds of formula I: I are disclosed, as are pharmaceutical compositions containing such compounds. Methods of treating neurological or psychiatric disorders in a patient in need are also disclosed. Such disorders include depression, bipolar disorder, pain, schizophrenia, obsessive compulsive disorder, addiction, social disorder, attention deficit hyperactivity disorder, an anxiety disorder, autism, a cognitive impairment, or a neuropsychiatric symptom such as apathy, depression, anxiety, psychosis, aggression, agitation, impulse control disorders, and sleep disorders in neurological disorders such as Alzheimer's and Parkinson's diseases.

  公开了化学式I的化合物，以及含有这些化合物的药物组合物。还公开了治疗患有神经系统或精神障碍的患者的方法。这些障碍包括抑郁症、躁郁症、疼痛、精神分裂症、强迫症、成瘾、社交障碍、注意力缺陷多动障碍、焦虑障碍、自闭症、认知障碍，或神经精神症状，如冷漠、抑郁、焦虑、精神病、攻击性、激动、冲动控制障碍，以及在神经系统疾病如阿尔茨海默病和帕金森病中的睡眠障碍。
• Dual NAV1.2/5HT2a inhibitors for treating CNS disorders
  申请人：Sunovion Pharmaceuticals Inc.

  公开号：US11186564B2

  公开（公告）日：2021-11-30

  Compounds of formula I: are disclosed, as are pharmaceutical compositions containing such compounds. Methods of treating neurological or psychiatric disorders in a patient in need are also disclosed. Such disorders include depression, bipolar disorder, pain, schizophrenia, obsessive compulsive disorder, addiction, social disorder, attention deficit hyperactivity disorder, an anxiety disorder, autism, a cognitive impairment, or a neuropsychiatric symptom such as apathy, depression, anxiety, psychosis, aggression, agitation, impulse control disorders, and sleep disorders in neurological disorders such as Alzheimer's and Parkinson's diseases.

  式 I 的化合物： 以及含有此类化合物的药物组合物。还公开了治疗有需要的患者的神经或精神障碍的方法。此类疾病包括抑郁症、双相情感障碍、疼痛、精神分裂症、强迫症、成瘾症、社交障碍、注意力缺陷多动障碍、焦虑症、自闭症、认知障碍或神经精神症状，如冷漠、抑郁、焦虑、精神病、攻击性、激动、冲动控制障碍，以及神经系统疾病如阿尔茨海默病和帕金森病的睡眠障碍。
• TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF
  申请人：Exciva GmbH

  公开号：EP3618819A1

  公开（公告）日：2020-03-11
• DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS
  申请人：Sunovion Pharmaceuticals Inc.

  公开号：US20190194163A1

  公开（公告）日：2019-06-27

  Compounds of formula I: are disclosed, as are pharmaceutical compositions containing such compounds. Methods of treating neurological or psychiatric disorders in a patient in need are also disclosed. Such disorders include depression, bipolar disorder, pain, schizophrenia, obsessive compulsive disorder, addiction, social disorder, attention deficit hyperactivity disorder, an anxiety disorder, autism, a cognitive impairment, or a neuropsychiatric symptom such as apathy, depression, anxiety, psychosis, aggression, agitation, impulse control disorders, and sleep disorders in neurological disorders such as Alzheimer's and Parkinson's diseases.
• [EN] TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF<br/>[FR] TARGETED DRUG RESCUE AVEC DE NOUVELLES COMPOSITIONS, ASSOCIATIONS ET PROCÉDÉS CORRESPONDANTS
  申请人：EXCIVA UG HAFTUNGSBESCHRAENKT

  公开号：WO2018204713A1

  公开（公告）日：2018-11-08

  Compounds of Formula I, pharmaceutically acceptable salts thereof, enantiomers thereof, metabolites thereof, derivatives thereof, prodrugs thereof, acid addition salts thereof, pharmaceutically acceptable salts thereof, or N-oxides thereof; or a combination thereof, processes and intermediates for preparation thereof, compositions thereof, and uses thereof, are provided. Pharmaceutical compositions comprising a compound of Formula I, or enantiomers thereof, metabolites thereof, derivatives thereof, prodrugs thereof, acid addition salts thereof, pharmaceutically acceptable salts thereof, or N-oxides thereof; or a combination thereof, wherein the compound is double and/or triple agent or ligand for CYP2D6, 5-HT2A, and/or 5HT2C receptors, and/or acetylcholinesterase are provided.