(2R)-2alpha-[[(alphaS)-alpha-(Hydroxymethyl)-3,5-bis(trifluoromethyl)benzyl]oxy]-3alpha-(4-fluorophenyl)-4-(1H-1,2,4-triazole-3-ylmethyl)morpholine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (2R)-2alpha-[[(alphaS)-alpha-(Hydroxymethyl)-3,5-bis(trifluoromethyl)benzyl]oxy]-3alpha-(4-fluorophenyl)-4-(1H-1,2,4-triazole-3-ylmethyl)morpholine
• 英文别名: (2S)-2-[3,5-bis(trifluoromethyl)phenyl]-2-[(2R,3S)-3-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholin-2-yl]oxyethanol
• 化学式: C₂₃H₂₁F₇N₄O₃
• 分子量: 534.4
• InChiKey: RENWFOYENNEQJW-HLAWJBBLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  83.5
• 氢给体数：
  2
• 氢受体数：
  13

文献信息

• [EN] SUBSTITUTED ARYL AMIDES<br/>[FR] ARYLAMIDES SUBSTITUEE
  申请人：MERCK & CO INC

  公开号：WO2003087037A1

  公开（公告）日：2003-10-23

  Novel compounds of 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 psychotropic 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。本发明的化合物可作为精神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。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍的治疗，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。
• Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation
  申请人：——

  公开号：US20040097573A1

  公开（公告）日：2004-05-20

  The present invention provides the use of a COX-2 inhibitior and an NK-1 receptor antagonist for the treatment or prevention of inflammatory disorders.

  本发明提供了利用COX-2抑制剂和NK-1受体拮抗剂用于治疗或预防炎症性疾病的方法。
• Method of treating cancer
  申请人：——

  公开号：US20030215456A1

  公开（公告）日：2003-11-20

  The present invention relates to methods of treating cancer using a combination of a compound which is a PSA conjugate and a tachykinin receptor antagonist, which methods comprise administering to said mammal, either sequentially in any order or simultaneously, amounts of at least two therapeutic agents selected from a group consisting of a compound which is a PSA conjugate and a tachykinin receptor antagonist. The invention also relates to methods of preparing such compositions.

  本发明涉及使用一种PSA结合物和一种催吐肽受体拮抗剂的组合来治疗癌症的方法，该方法包括向所述哺乳动物施用来自PSA结合物和催吐肽受体拮抗剂组成的一组中至少两种治疗剂的剂量，可以按任意顺序依次施用或同时施用。该发明还涉及制备这种组合物的方法。
• Substituted pyrimidines
  申请人：Kopka E. Ihor

  公开号：US20050245554A1

  公开（公告）日：2005-11-03

  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/或反向激动剂，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。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍的治疗，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。
• [EN] SUBSTITUTED AMIDES<br/>[FR] AMIDES SUBSTITUES
  申请人：MERCK & CO INC

  公开号：WO2003077847A2

  公开（公告）日：2003-09-25

  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/或反向激动剂，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（包括多发性硬化和格林-巴利综合征）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。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的治疗。