N-{3-(4-chlorophenyl)-2-(3-cyanophenyl)-2-hydroxy-1(S)-methylpropyl}-2-(5-trifluoromethyl-2-pyridyloxy)-2-methylpropanamide | 958865-69-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: N-{3-(4-chlorophenyl)-2-(3-cyanophenyl)-2-hydroxy-1(S)-methylpropyl}-2-(5-trifluoromethyl-2-pyridyloxy)-2-methylpropanamide
• 英文别名: N-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-hydroxybutan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide
• CAS: 958865-69-5
• 化学式: C₂₇H₂₅ClF₃N₃O₃
• 分子量: 531.962
• InChiKey: KHAHHCRELJSXME-WFFHQLTOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  95.2
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-{3-(4-chlorophenyl)-2-(3-cyanophenyl)-2-hydroxy-1(S)-methylpropyl}-2-(5-trifluoromethyl-2-pyridyloxy)-2-methylpropanamide 、 氯磺酸乙酯 在 吡啶 作用下， 以 氯仿 为溶剂， 反应 4.0h， 生成 N-{3-(4-chlorophenyl)-2-(3-cyanophenyl)-2-ethoxysulfonyloxy-1(S)-methylpropyl}-2-(5-trifluoromethyl-2-pyridyloxy)-2-methylpropanamide
  参考文献：
  名称：

  WO2007/136571

  摘要：

  公开号：
• 作为产物：
  描述：

  N-{3-(4-chlorophenyl)-2-(3-bromophenyl)-2-hydroxy-1(S)-methylpropyl}-2-(5-trifluoromethyl-2-pyridyloxy)-2-methylpropanamide 、 氰化钠 在 四(三苯基膦)钯 18-冠醚-6 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 N-{3-(4-chlorophenyl)-2-(3-cyanophenyl)-2-hydroxy-1(S)-methylpropyl}-2-(5-trifluoromethyl-2-pyridyloxy)-2-methylpropanamide
  参考文献：
  名称：

  WO2007/136571

  摘要：

  公开号：

文献信息

• Substituted amides
  申请人：Lin Linus S.

  公开号：US20080194645A1

  公开（公告）日：2008-08-14

  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/或反向激动剂，并且可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可用作中枢神经系统药物，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格林-巴利综合症以及病毒性脑炎、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。这些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。
• SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS
  申请人：Hagmann William K.

  公开号：US20090137529A1

  公开（公告）日：2009-05-28

  The compounds of the present invention are prodrugs of modulators of the Cannabinoid-1 (CB 1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the Cannabinoid-1 (CB 1) receptor. In particular, compounds of the present invention are 5 prodrugs of antagonists or inverse agonists of the CB 1 receptor. The invention is concerned with the use of these compounds to be converted to compounds that modulate the Cannabinoid-1 (CB 1) receptor. As such, 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-10 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.

  本发明的化合物是Cannabinoid-1（CB 1）受体调节剂的前药，可用于治疗、预防和抑制由Cannabinoid-1（CB 1）受体介导的疾病。特别地，本发明的化合物是CB 1受体拮抗剂或反向激动剂的5个前药。本发明涉及使用这些化合物转化为调节Cannabinoid-1（CB 1）受体的化合物。因此，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、阿尔茨海默病、偏头痛、神经病、神经炎性疾病（包括多发性硬化和Guillain-Barre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的治疗中使用。
• SUBSTITUTED AMIDES
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1575901B1

  公开（公告）日：2012-10-10
• US7348456B2
  申请人：——

  公开号：US7348456B2

  公开（公告）日：2008-03-25
• US7576239B2
  申请人：——

  公开号：US7576239B2

  公开（公告）日：2009-08-18