3-氧代-7-(三氟甲基)-3,4-二氢喹噁啉-2-羧酸 | 219485-21-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 3-氧代-7-(三氟甲基)-3,4-二氢喹噁啉-2-羧酸
• 英文名称: 3-Hydroxy-7-(trifluoromethyl)quinoxaline-2-carboxylic acid
• 英文别名: 3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid
• CAS: 219485-21-9
• 化学式: C₁₀H₅F₃N₂O₃
• 分子量: 258.157
• InChiKey: PGHBNLQJQONMKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  78.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-氨基-3-硝基三氟甲苯 在 palladium on activated charcoal sodium hydroxide 、 水 、 氢气 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 3-氧代-7-(三氟甲基)-3,4-二氢喹噁啉-2-羧酸
  参考文献：
  名称：

  Synthesis of substituted 2-ethoxycarbonyl- and 2-carboxyquinoxalin-3-ones for evaluation of antimicrobial and anticancer activity

  摘要：

  A series of variously substituted quinoxalin-3-ones bearing an ethoxycarbonyl or carboxy group in the C-2 position has been prepared and their structures proved by H-1 NMR spectroscopy. The obtained compounds were investigated in vitro for antimicrobial and anticancer activities. Preliminary results showed a moderate activity against a few strains of bacteria but no significant anticancer and anti-HIV activity. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00044-5

文献信息

• [EN] 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY
  申请人：WARNER-LAMBERT COMPANY

  公开号：WO1992011245A1

  公开（公告）日：1992-07-09

  (EN) The present invention relates to novel 2-acylamide derivatives of 3,4-dihydro-3-oxo-quinoxaline useful as pharmaceutical agents, to methods for their production, to pharmaceutical compositions and methods of treatment therefor. The compounds of the present invention have activity as excitatory amino acid receptor mediators and, thus, are useful in the treatment of a wide range of neurodegenerative disorders including cerebrovascular disorders such as stroke.(FR) L'invention se rapporte à de nouveaux dérivés 2-acylamido de 3,4-dihydro-3-oxo-quinoxaline utilisés comme agents pharmaceutiques, à leurs procédés de production, à des compositions pharmaceutiques et à des procédés thérapeutiques les mettant en application. Les composés décrits par l'invention possèdent une activité de médiateurs de récepteurs d'acides aminés excitatoires et, de ce fait, ont une utilité thérapeutique dans le traitement d'un grand nombre de troubles neurodégénératifs, y compris les troubles cérébrovasculaires tels que les attaques.
• Synthesis of substituted 2-ethoxycarbonyl- and 2-carboxyquinoxalin-3-ones for evaluation of antimicrobial and anticancer activity
  作者：Paolo Sanna、Antonio Carta、Mario Loriga、Stefania Zanetti、Leonardo Sechi

  DOI：10.1016/s0014-827x(98)00044-5

  日期：1998.7

  A series of variously substituted quinoxalin-3-ones bearing an ethoxycarbonyl or carboxy group in the C-2 position has been prepared and their structures proved by H-1 NMR spectroscopy. The obtained compounds were investigated in vitro for antimicrobial and anticancer activities. Preliminary results showed a moderate activity against a few strains of bacteria but no significant anticancer and anti-HIV activity. (C) 1998 Elsevier Science S.A. All rights reserved.