1-Methylcarbamoylmethyl-7-(1-pyrrolyl)-6-trifluromethyl-2,3(1H,4H)-quinoxalinedione

• 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: 1-Methylcarbamoylmethyl-7-(1-pyrrolyl)-6-trifluromethyl-2,3(1H,4H)-quinoxalinedione
• 英文别名: 2-[2,3-dioxo-7-pyrrol-1-yl-6-(trifluoromethyl)-4H-quinoxalin-1-yl]-N-methylacetamide
• 化学式: C₁₆H₁₃F₃N₄O₃
• 分子量: 366.299
• InChiKey: AWPPKSSXVHKZOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  83.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Methyl 2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate 在 palladium on activated charcoal 盐酸 、 硫酸 、 氢气 、 铁粉 、 溶剂黄146 、 potassium nitrate 、 N,N'-二环己基碳二亚胺 作用下， 生成 1-Methylcarbamoylmethyl-7-(1-pyrrolyl)-6-trifluromethyl-2,3(1H,4H)-quinoxalinedione
  参考文献：
  名称：

  Pyrrolylquinoxalinediones: A new class of AMPA receptor antagonists

  摘要：

  Pyrrolylquinoxalinediones were synthesized and their affinities for the AMPA receptor were determined. Most compounds showed moderate to good affinities. The acetic acid derivative 8b exhibited a K-i value of 70 nM and was equipotent to NBQX 1. Structure activity relationships are discussed. Selected compounds were tested for their potency to inhibit AMPA induced lethal convulsions in mice. In this in vivo model the compounds showed improved potency compared with NBQX. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00534-3

文献信息

• US5714489A
  申请人：——

  公开号：US5714489A

  公开（公告）日：1998-02-03
• US5852017A
  申请人：——

  公开号：US5852017A

  公开（公告）日：1998-12-22
• Pyrrolylquinoxalinediones: A new class of AMPA receptor antagonists
  作者：W. Lubisch、B. Behl、H.P. Hofmann

  DOI：10.1016/s0960-894x(96)00534-3

  日期：1996.12

  Pyrrolylquinoxalinediones were synthesized and their affinities for the AMPA receptor were determined. Most compounds showed moderate to good affinities. The acetic acid derivative 8b exhibited a K-i value of 70 nM and was equipotent to NBQX 1. Structure activity relationships are discussed. Selected compounds were tested for their potency to inhibit AMPA induced lethal convulsions in mice. In this in vivo model the compounds showed improved potency compared with NBQX. Copyright (C) 1996 Elsevier Science Ltd