4-((2,3-dihydrobenzofuran-5-yl)methyl)-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile | 1207437-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 4-((2,3-dihydrobenzofuran-5-yl)methyl)-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
• 英文别名: 4-(2,3-Dihydro-1-benzofuran-5-ylmethyl)-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile
• CAS: 1207437-12-4
• 化学式: C₁₉H₁₃FN₄O₃
• 分子量: 364.336
• InChiKey: HZEREGFKAKLJGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS
  申请人：Riguet Eric

  公开号：US20100004246A1

  公开（公告）日：2010-01-07

  The present invention provides novel compounds of formula I wherein W 1 , W 2 , W 3 , W 4 , W 5 , B, X 1 , X 2 , X 3 , X 4 , X 5 , E and L are as defined herein; invention compounds are gamma amino butyrique acid receptor-subtype B (“GABA B ”) positive allosteric modulators (enhancers), which are useful to provide methods of treating or preventing diseases or disorders, including treatment of anxiety, depression, epilepsy, schizophrenia, cognitive disorders, spasticity and skeletal muscle rigidity, spinal cord injury, multiple sclerosis, amyotrophic lateral sclerosis, cerebral palsy, neuropathic pain and craving associated with cocaine and nicotine, panic disorder, posttraumatic stress disorders, urge urinary incontinence, gastroesophageal reflux disease, transient lower oesophageal sphincter relaxations, functional gastrointestinal disorders and irritable bowel syndrome.

  本发明提供了式I的新化合物，其中W1、W2、W3、W4、W5、B、X1、X2、X3、X4、X5、E和L的定义如本文所述；发明的化合物是γ-氨基丁酸受体亚型B（“GABAB”）正向变构调节剂（增强剂），可用于提供治疗或预防疾病或疾病的方法，包括焦虑、抑郁、癫痫、精神分裂症、认知障碍、痉挛和骨骼肌肌紧张、脊髓损伤、多发性硬化、肌萎缩性侧索硬化、脑瘫、神经痛和与可卡因和尼古丁相关的渴望、惊恐障碍、创伤后应激障碍、急迫性尿失禁、胃食管反流病、暂时性下食管括约肌松弛、功能性胃肠疾病和肠易激综合征的治疗。
• Novel triazinedione derivatives as GABA-B receptor modulators
  申请人：ADDEX Pharma S.A.

  公开号：EP2662366A1

  公开（公告）日：2013-11-13

  The present invention provides novel compounds of formula I wherein W1, W2, W3, W4, W5, B, X1, X2, X3, X4, X5, E and L are as defined herein; invention compounds are gamma amino butyrique acid receptor-subtype B ("GABAB") positive allosteric modulators (enhancers), which are useful to provide methods of treating or preventing diseases or disorders, including treatment of anxiety, depression, epilepsy, schizophrenia, cognitive disorders, spasticity and skeletal muscle rigidity, spinal cord injury, multiple sclerosis, amyotrophic lateral sclerosis, cerebral palsy, neuropathic pain and craving associated with cocaine and nicotine, panic disorder, posttraumatic stress disorders, urge urinary incontinence, gastroesophageal reflux disease, transient lower oesophageal sphincter relaxations, functional gastrointestinal disorders and irritable bowel syndrome.

  本发明提供了式 I 的新型化合物，其中 W1、W2、W3、W4、W5、B、X1、X2、X3、X4、X5、E 和 L 如本文所定义；本发明化合物是γ-氨基丁酸受体亚型 B（"GABAB"）正异位调节剂（增强剂），可用于提供治疗或预防疾病或失调的方法，包括治疗焦虑症、抑郁症、癫痫、精神分裂症、认知障碍、痉挛和骨骼肌僵硬、脊髓损伤、多发性硬化症、肌萎缩症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、多发性硬化症、肌萎缩性脊髓侧索硬化症、脑瘫、神经性疼痛以及与可卡因和尼古丁相关的渴求、恐慌症、创伤后应激障碍、急迫性尿失禁、胃食管反流病、一过性下食管括约肌松弛、功能性胃肠病和肠易激综合征。
• NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS
  申请人：Addex Pharma SA

  公开号：EP2104670A2

  公开（公告）日：2009-09-30
• US8344138B2
  申请人：——

  公开号：US8344138B2

  公开（公告）日：2013-01-01
• US8779129B2
  申请人：——

  公开号：US8779129B2

  公开（公告）日：2014-07-15