15-Methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,14,16-tetraene-5-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 15-Methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,14,16-tetraene-5-carboxylic acid
• 英文别名: 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,14,16-tetraene-5-carboxylic acid
• 化学式: C₁₆H₁₇N₃O₄
• 分子量: 315.32
• InChiKey: MNUQPKGGPRKFJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  82.4
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• NOVEL GABAA AGONISTS AND METHODS OF USING TO CONTROL AIRWAY HYPERRESPONSIVENESS AND INFLAMMATION IN ASTHMA
  申请人：UWM Research Foundation, Inc.

  公开号：EP2897963A1

  公开（公告）日：2015-07-29
• NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS
  申请人：University of Maryland, Baltimore

  公开号：EP3675845A1

  公开（公告）日：2020-07-08
• [EN] NOVEL GABAA AGONISTS AND METHODS OF USING TO CONTROL AIRWAY HYPERRESPONSIVENESS AND INFLAMMATION IN ASTHMA<br/>[FR] NOUVEAUX AGONISTES GABAA ET LEURS PROCÉDÉS D'UTILISATION POUR LUTTER CONTRE L'HYPEREXCITABILITÉ ET L'INFLAMMATION BRONCHIQUES AU COURS DE L'ASTHME
  申请人：UWM RES FOUNDATION INC

  公开号：WO2014047413A1

  公开（公告）日：2014-03-27

  Novel methods of treating inflammation and airway constriction using GABAergic compounds with reduced benzodiazepine-like CNS activity are provided. Novel compounds which selectively target alpha-4 and alpha-5 GABAA receptors and methods of using those compounds to treat bronchoconstriction and inflammation are provided herein.
• [EN] NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS<br/>[FR] NOUVEAUX MODULATEURS DU RÉCEPTEUR DE L'ACIDE GAMMA-AMINOBUTYRIQUE DE TYPE A DESTINÉS AUX TROUBLES DE L'HUMEUR
  申请人：UNIV MARYLAND

  公开号：WO2019046300A1

  公开（公告）日：2019-03-07

  The present invention relates to novel alpha5 subunit-selective negative allosteric modulators of GABAA receptors that have been deuterated to improve their medicinal properties by prolonging their half-lives, rendering them useful as fast-acting pharmaceutical treatments for depression related disorders.