N-isopropyl-3-oxo-2-(4-(trifluoromethyl)phenyl)-2,3-dihydrodipyrazolo[3,4-b:3',4'-d]pyridine-6(5H)-carboxamide | 1373212-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-isopropyl-3-oxo-2-(4-(trifluoromethyl)phenyl)-2,3-dihydrodipyrazolo[3,4-b:3',4'-d]pyridine-6(5H)-carboxamide
• CAS: 1373212-50-0
• 化学式: C₁₈H₁₅F₃N₆O₂
• 分子量: 404.351
• InChiKey: CEUJHSVJHGVBRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  97.6
• 氢给体数：
  2.0
• 氢受体数：
  6.0

文献信息

• THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS
  申请人：Gupta Varsha

  公开号：US20120095016A1

  公开（公告）日：2012-04-19

  The invention provides a novel chemical series of formula I, as well as methods of use thereof for binding to the benzodiazepine site of the GABA A receptor and negatively modulating the α5 subtype of GABA A , and use of the compound of formula I in the manufacture of a medicament for the treatment of GABA A receptor associated disorders. The invention further provides a method of modulation of one or more GABA A subtypes in an animal comprising administering to the animal an effective amount of a compound of formula (I).

  这项发明提供了一种新颖的化学系列，其化学式为I，以及利用该化合物结合到GABA A 受体的苯二氮卓位点并负性调节GABA A 的α5亚型的方法，以及利用化合物I的制备药物治疗GABA A 受体相关疾病的方法。该发明还提供了一种在动物体内调节一个或多个GABA A 亚型的方法，包括向动物体内施用化合物I的有效量。
• FUSED 3-OXO-PYRAZOLO[4,3-c]PYRIDINE COMPOUNDS AS GABAA MODULATORS
  申请人：Dart Neuroscience (Cayman) Ltd

  公开号：EP2627655B1

  公开（公告）日：2015-09-16
• US9012470B2
  申请人：——

  公开号：US9012470B2

  公开（公告）日：2015-04-21
• [EN] THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS<br/>[FR] ANALOGUES 5,6,5-TRICYCLIQUES THÉRAPEUTIQUES
  申请人：HELICON THERAPEUTICS INC

  公开号：WO2012051213A2

  公开（公告）日：2012-04-19

  The invention provides a novel chemical series of formula (I), as well as methods of use thereof for binding to the benzodiazepine site of the GABAA receptor and negatively modulating the α5 subtype of GABAA, and use of the compound of formula (I) in the manufacture of a medicament for the treatment of GABAA receptor associated disorders. The invention further provides a method of modulation of one or more GABAA subtypes in an animal comprising administering to the animal an effective amount of a compound of formula (I).