6-Methyl-4-oxo-4,4a,5,6,7,7a,8,9-octahydro-1H-1,6-diaza-cyclopenta[f]azulene-3-carboxylic acid pyridin-2-ylamide | 485810-92-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-Methyl-4-oxo-4,4a,5,6,7,7a,8,9-octahydro-1H-1,6-diaza-cyclopenta[f]azulene-3-carboxylic acid pyridin-2-ylamide
• 英文别名: 5-methyl-2-oxo-N-pyridin-2-yl-5,11-diazatricyclo[8.3.0.03,7]trideca-1(10),12-diene-13-carboxamide
• CAS: 485810-92-2
• 化学式: C₁₈H₂₀N₄O₂
• 分子量: 324.382
• InChiKey: UTGKXLNNYOCBGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  78.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-Methyl-4-oxo-4,4a,5,6,7,7a,8,9-octahydro-1,6-diaza-cyclopenta[f]azulene-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester 生成 6-Methyl-4-oxo-4,4a,5,6,7,7a,8,9-octahydro-1H-1,6-diaza-cyclopenta[f]azulene-3-carboxylic acid pyridin-2-ylamide
  参考文献：
  名称：

  Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives

  摘要：

  本发明涉及环烷基吡咯烷-3-羧酸衍生物和杂环烷基吡咯烷-3-羧酸衍生物，它们与GABAA受体的苯二氮平位点具有高选择性和/或高亲和力。本发明还涉及包括这些化合物的制药组合物，并且涉及将这些化合物用于治疗中枢神经系统（CNS）疾病。本发明还涉及将这些环烷基吡咯烷-3-羧酸衍生物和杂环烷基吡咯烷-3-羧酸衍生物与一种或多种其他CNS药剂结合使用，以增强其他CNS药剂的效果。此外，本发明还涉及将这些化合物用作探针，用于检测组织样品中的GABAA受体。

  公开号：

  US20030069416A1

文献信息

• CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS
  申请人：Pfizer Products Inc.

  公开号：EP1404316A1

  公开（公告）日：2004-04-07
• US6861529B2
  申请人：——

  公开号：US6861529B2

  公开（公告）日：2005-03-01
• [EN] CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS<br/>[FR] DERIVES D'ACIDE CYCLOALKYLPYRROLE-3 CARBOXYLIQUE ET DERIVES D'ACIDE HETEROCYCLOALKYLPYRROLE-3 CARBOXYLIQUE EN TANT QUE LIGANDS DU RECPETEUR GABA-A
  申请人：PFIZER PROD INC

  公开号：WO2003004018A1

  公开（公告）日：2003-01-16

  This invention relates to cycloalkylpyrolle-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives that bind with high selectively and/or high affinity to the benzodiazepine site of GABAA receptors. This invention also relates to pharmaceutical compositions comprising such compounds and to the use of such compounds in the treatment of central nervous system (CNS) diseases. This invention also relates to the use of these cycloalkylpyrolle-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives in combination with one or more other CNS agents to potentiate the effects of the other CNS agents. Additionally this invention relates to the use such compounds as probes for the detection of GABAA receptors in tissue samples.