1-[4-(fluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide

• 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: 1-[4-(fluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
• 化学式: C₂₀H₂₀FN₅O₃
• 分子量: 397.4
• InChiKey: DOJOWTVUYGDJOK-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  90.3
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] TRIAZOLE CARBOXAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS TRIAZOLE CARBOXAMIDE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014041106A1

  公开（公告）日：2014-03-20

  The invention relates to compounds of formula (I), wherein R1 is phenyl or pyridinyl, optionally substituted by halogen, lower alkyl, lower alkoxy, lower alkyl substituted by halogen and lower alkoxy substituted by halogen; X1 is -N= or CH; X2 is CR2 or =N-; X3 is -N= or CH; with the proviso that only two of X1, X2 or X3 are nitrogen; wherein is a triazole group, selected from R2 is hydrogen or lower alkyl; Z is a bond, -O- or -CH2-; or to pharmaceutically suitable acid addition salts thereof. It has now been found that the compounds of formulas I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1. The compounds may be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  该发明涉及以下化合物的结构（I），其中R1是苯基或吡啶基，可以选择性地被卤素、低烷基、低烷氧基、被卤素取代的低烷基和被卤素取代的低烷氧基取代；X1是-N=或CH；X2是CR2或=N-；X3是-N=或CH；但须注意X1、X2或X3中只有两个是氮；其中是三唑基团，选择自R2是氢或低烷基；Z是键，-O-或-CH2-；或其药学上适宜的酸盐。现已发现，公式I的化合物对痕量胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1。这些化合物可用于治疗抑郁症、焦虑症、躁郁症、注意力缺陷多动障碍（ADHD）、与压力有关的障碍、精神分裂症等精神障碍、帕金森病等神经疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用以及代谢紊乱，如进食障碍、糖尿病、糖尿病并发症、肥胖症、血脂异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍以及心血管疾病。
• TRIAZOLE CARBOXAMIDE DERIVATIVES
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2895478A1

  公开（公告）日：2015-07-22