3Β-羟基-孕甾-16-烯-20-酮-3-醋酸酯 | 34675-77-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3Β-羟基-孕甾-16-烯-20-酮-3-醋酸酯
• 中文别名: 1-{4-[2-羟基-3-(4-苯基-1-哌嗪基)丙氧基]苯基}-1-丙酮
• 英文名称: centpropazine
• 英文别名: 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
• CAS: 34675-77-9
• 化学式: C₂₂H₂₈N₂O₃
• 分子量: 368.476
• InChiKey: ZQPXSRTZFYHSFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  53
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  3Β-羟基-孕甾-16-烯-20-酮-3-醋酸酯 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 为溶剂， 以73%的产率得到4-(2-Oxy-3-N-phenylpiperazinopropoxy)propiophenone oxime
  参考文献：
  名称：

  Synthesis and pharmacological activity of 1-phenoxy-3-aminopropanol-2-derivatives

  摘要：

  DOI：

  10.1007/bf01146183
• 作为产物：
  描述：

  1-(4-oxiranylmethoxy-phenyl)-propan-1-one 、 N-苯基哌嗪 生成 3Β-羟基-孕甾-16-烯-20-酮-3-醋酸酯
  参考文献：
  名称：

  J. Med. Chem. 1972, 15, 286-291

  摘要：

  DOI：

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。
• GLOZMAN O. M.; ORLOVA EH. K.; AGAVELYAN EH. S.; ISMAILOV SH. I.; NEROBKOV+, XIM.-FARMATS. ZH., 21,(1987) N 3, 309-312
  作者：GLOZMAN O. M.、 ORLOVA EH. K.、 AGAVELYAN EH. S.、 ISMAILOV SH. I.、 NEROBKOV+

  DOI：——

  日期：——
• 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.
• Synthesis and pharmacological activity of 1-phenoxy-3-aminopropanol-2-derivatives
  作者：O. M. Glozman、É. K. Orlova、É. S. Agavelyan、Sh. I. Ismailov、L. N. Nerobkova、I. A. Voronina、V. A. Zagorevskii

  DOI：10.1007/bf01146183

  日期：1987.3