3-cyano-6-(2,2-difluoroethoxy)-2-methoxybenzoic acid

• 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: 3-cyano-6-(2,2-difluoroethoxy)-2-methoxybenzoic acid
• 英文别名: 3-Cyano-6-(2,2-difluoroethoxy)-2-methoxybenzoic acid
• 化学式: C₁₁H₉F₂NO₄
• 分子量: 257.194
• InChiKey: VQLIAWHHCJQQQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  79.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-氟-2-甲氧基苯腈 在 caesium carbonate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 21.0h， 生成 3-cyano-6-(2,2-difluoroethoxy)-2-methoxybenzoic acid
  参考文献：
  名称：

  [EN] SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C] PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C] PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS
  [FR] COMPOSÉS DE 2,4,5,6-TÉTRAHYDROPYRROLO[3,4-C] PYRAZOLE ET 4,5,6,7-TÉTRAHYDRO-2 H-PYRAZOLO [4,3-C] PYRIDINE UTILISÉS COMME INHIBITEURS DE GLYT1

  摘要：

  公开号：

  WO2015164520A4

文献信息

• SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS
  申请人：Dart Neuroscience (Cayman) Ltd

  公开号：EP3134406A1

  公开（公告）日：2017-03-01
• SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS
  申请人：DART NEUROSCIENCE (CAYMAN) LTD.

  公开号：US20170044167A1

  公开（公告）日：2017-02-16

  The invention provides a chemical entity of Formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 and X have any of the values described herein, and compositions comprising such chemical entities; methods of making them; and their use in a wide range of methods, including metabolic and reaction kinetic studies; detection and imaging techniques; radioactive treatments; modulating and treating disorders mediated by GlyT1 activity; treating neurological disorders, CNS disorders, dementia, neurodegenerative diseases, and trauma-dependent losses of function; treating stroke, including cognitive and motor deficits during stroke rehabilitation; facilitating neuroprotection and neurorecovery; enhancing the efficiency of cognitive and motor training, including animal skill training; and treating other disorders, including pain and alcohol-dependence.
• US9708334B2
  申请人：——

  公开号：US9708334B2

  公开（公告）日：2017-07-18
• [EN] SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C] PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C] PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS<br/>[FR] COMPOSÉS DE 2,4,5,6-TÉTRAHYDROPYRROLO[3,4-C] PYRAZOLE ET 4,5,6,7-TÉTRAHYDRO-2 H-PYRAZOLO [4,3-C] PYRIDINE UTILISÉS COMME INHIBITEURS DE GLYT1
  申请人：DART NEUROSCIENCE LLC

  公开号：WO2015164520A4

  公开（公告）日：2015-12-17