methyl {1-[(3-chlorophenyl)(4-chlorophenyl)methyl]azetidin-3-yl}(3,5-difluorophenyl)acetate | 820971-83-3

• 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: methyl {1-[(3-chlorophenyl)(4-chlorophenyl)methyl]azetidin-3-yl}(3,5-difluorophenyl)acetate
• 英文别名: Methyl {1-[(3-chlorophenyl)(4-chlorophenyl)methyl]azetidin-3-yl}(3,5-difluorophenyl)acetate；methyl 2-[1-[(3-chlorophenyl)-(4-chlorophenyl)methyl]azetidin-3-yl]-2-(3,5-difluorophenyl)acetate
• CAS: 820971-83-3
• 化学式: C₂₅H₂₁Cl₂F₂NO₂
• 分子量: 476.35
• InChiKey: YKBKVUYIVKNBFN-UHFFFAOYSA-N

物化性质

• 沸点：
  509.3±45.0 °C(Predicted)
• 密度：
  1.353±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl {1-[(3-chlorophenyl)(4-chlorophenyl)methyl]azetidin-3-yl}(3,5-difluorophenyl)acetate 、 甲基锂 在 cerium(III) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 0.04h， 生成 1-{1-[(3-chlorophenyl)(4-chlorophenyl)methyl]azetidin-3-yl}-1-(3,5-difluorophenyl)-2-methylpropan-2-ol
  参考文献：
  名称：

  [EN] SUBSTITUTED 3-ALKYL AND 3-ALKENYL AZETIDINE DERIVATIVES
  [FR] DERIVES 3-ALKYLE ET 3-ALCENYLE AZETIDINE SUBSTITUES

  摘要：

  结构式（I）的新化合物是大麻素-1（CB1）受体的拮抗剂和/或逆向激动剂，并且在治疗、预防和抑制由CB1受体介导的疾病方面具有用途。本发明的化合物在治疗精神病、记忆缺陷、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化和吉兰-巴雷综合征）、病毒性脑炎、脑血管事故和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症方面作为中枢作用药物具有用途。这些化合物还可用于治疗物质滥用障碍、肥胖或进食障碍的治疗，以及治疗哮喘、便秘、慢性肠道假性梗阻和肝硬化。

  公开号：

  WO2005000809A1

文献信息

• Heterocycle-substituted 3-alkyl azetidine derivatives
  申请人：Baker K. Robert

  公开号：US20070123505A1

  公开（公告）日：2007-05-31

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, Alzheimer's disease, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson's disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, cirrhosis of the liver, non-alcoholic fatty liver disease (NAFLD), and non-alcoholic steatohepatitis (NASH).

  结构式（I）的新化合物是大麻素-1（CB1）受体的拮抗剂和/或逆向激动剂，并且在治疗、预防和抑制由CB1受体介导的疾病方面具有用处。本发明的化合物在治疗精神病、记忆缺陷、认知障碍、阿尔茨海默病、偏头痛、神经病、神经炎症性疾病（包括多发性硬化症和吉兰-巴雷综合征）、病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症中作为中枢作用药物具有用处。这些化合物还可用于治疗物质滥用障碍、肥胖或进食障碍的治疗，以及治疗哮喘、便秘、慢性肠道假性梗阻、肝硬化、非酒精性脂肪肝病（NAFLD）和非酒精性脂肪性肝炎（NASH）。
• Substituted 3-alkyl and 3-alkenyl azetidine derivatives
  申请人：Baker K. Robert

  公开号：US20060293299A1

  公开（公告）日：2006-12-28

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson's disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新型化合物是大麻素-1（CB1）受体的拮抗剂和/或逆拮抗剂，可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可作为中枢作用药物，用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化症和吉兰-巴雷综合征）以及病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症。该化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。
• WO2007/62193
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] SUBSTITUTED 3-ALKYL AND 3-ALKENYL AZETIDINE DERIVATIVES<br/>[FR] DERIVES 3-ALKYLE ET 3-ALCENYLE AZETIDINE SUBSTITUES
  申请人：MERCK & CO INC

  公开号：WO2005000809A1

  公开（公告）日：2005-01-06

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson’s disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新化合物是大麻素-1（CB1）受体的拮抗剂和/或逆向激动剂，并且在治疗、预防和抑制由CB1受体介导的疾病方面具有用途。本发明的化合物在治疗精神病、记忆缺陷、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化和吉兰-巴雷综合征）、病毒性脑炎、脑血管事故和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症方面作为中枢作用药物具有用途。这些化合物还可用于治疗物质滥用障碍、肥胖或进食障碍的治疗，以及治疗哮喘、便秘、慢性肠道假性梗阻和肝硬化。