4-[[1-[4-(carboxymethyl)-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-[[1-[4-(carboxymethyl)-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid
• 化学式: C₂₄H₁₈F₃N₅O₇
• 分子量: 545.431
• InChiKey: QSNIAABEHJATJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  170
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  乙基-4-异叠酸苯酯 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[[1-[4-(carboxymethyl)-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoylamino]benzoic acid
  参考文献：
  名称：

  Pyrrolylquinoxalinediones: Dicarboxylates as highly potent AMPA receptor antagonists

  摘要：

  Pyrrolylquinoxalinediones carrying carboxylates at the pyrrole side-chain were synthesized and evaluated for AMPA receptor binding and for selectivity over other glutamate receptors. Particularly dicarboxy derivatives represent selective and highly potent AMPA antagonists. Moreover, several compounds displayed a remarkable efficacy against AMPA induced lethal convulsions and maximal electroshock seizures (MES) in mice. The good in vivo efficacy of the highly polar compounds suggests the involvement of an active transport mechanism. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00428-9

文献信息

• US6277850B1
  申请人：——

  公开号：US6277850B1

  公开（公告）日：2001-08-21
• Pyrrolylquinoxalinediones: Dicarboxylates as highly potent AMPA receptor antagonists
  作者：W. Lubisch、B. Behl、H.P. Hofmann、H.J. Teschendorf

  DOI：10.1016/s0960-894x(97)00428-9

  日期：1997.10

  Pyrrolylquinoxalinediones carrying carboxylates at the pyrrole side-chain were synthesized and evaluated for AMPA receptor binding and for selectivity over other glutamate receptors. Particularly dicarboxy derivatives represent selective and highly potent AMPA antagonists. Moreover, several compounds displayed a remarkable efficacy against AMPA induced lethal convulsions and maximal electroshock seizures (MES) in mice. The good in vivo efficacy of the highly polar compounds suggests the involvement of an active transport mechanism. (C) 1997 Elsevier Science Ltd.