7-(3-(Aminomethyl)-1-pyrrolyl)-1-carboxymethyl-6-nitroquinoxaline-2,3(1H,4H)-dione | 169117-67-3

• 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: 7-(3-(Aminomethyl)-1-pyrrolyl)-1-carboxymethyl-6-nitroquinoxaline-2,3(1H,4H)-dione
• 英文别名: [7-(3-Aminomethyl-pyrrol-1-yl)-6-nitro-2,3-dioxo-3,4-dihydro-2H-quinoxalin-1-yl]-acetic acid；2-[7-[3-(aminomethyl)pyrrol-1-yl]-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]acetic acid
• CAS: 169117-67-3
• 化学式: C₁₅H₁₃N₅O₆
• 分子量: 359.298
• InChiKey: LUIPVVRVNKNJEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  164
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  异氰酸苯酯 、 7-(3-(Aminomethyl)-1-pyrrolyl)-1-carboxymethyl-6-nitroquinoxaline-2,3(1H,4H)-dione 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(1-(1-Carboxymethyl-6-nitroquinoxaline-2,3(1H,4H)-dion-7-yl)-3-pyrrolyl)methyl-N'-phenylurea
  参考文献：
  名称：

  Pyrrolylquinoxalinediones: The importance of pyrrolic substitution on AMPA receptor binding

  摘要：

  Pyrrolylquinoxalinediones were synthesized to elucidate the value of pyrrolic substitution pattern on AMPA receptor binding. We discovered that amide and urea residues at the 3'-position at pyrrol ring favor affinity to AMPA receptor. Particularly, the phenylurea 13n exhibited a K-i value of 4 nM in AMPA receptor binding and represents the most potent competitive AMPA antagonist reported to dare. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00170-4
• 作为产物：
  描述：

  7-Amino-1-(ethoxycarbonylmethyl)-6-nitroquinoxaline-2,3(1H,4H)-dione 在 lithium hydroxide 、 溶剂黄146 作用下， 反应 0.5h， 生成 7-(3-(Aminomethyl)-1-pyrrolyl)-1-carboxymethyl-6-nitroquinoxaline-2,3(1H,4H)-dione
  参考文献：
  名称：

  Pyrrolylquinoxalinediones: The importance of pyrrolic substitution on AMPA receptor binding

  摘要：

  Pyrrolylquinoxalinediones were synthesized to elucidate the value of pyrrolic substitution pattern on AMPA receptor binding. We discovered that amide and urea residues at the 3'-position at pyrrol ring favor affinity to AMPA receptor. Particularly, the phenylurea 13n exhibited a K-i value of 4 nM in AMPA receptor binding and represents the most potent competitive AMPA antagonist reported to dare. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00170-4

文献信息

• US5849743A
  申请人：——

  公开号：US5849743A

  公开（公告）日：1998-12-15
• Pyrrolylquinoxalinediones: The importance of pyrrolic substitution on AMPA receptor binding
  作者：W. Lubisch、B. Benl、H.P. Hofmann

  DOI：10.1016/s0960-894x(97)00170-4

  日期：1997.5

  Pyrrolylquinoxalinediones were synthesized to elucidate the value of pyrrolic substitution pattern on AMPA receptor binding. We discovered that amide and urea residues at the 3'-position at pyrrol ring favor affinity to AMPA receptor. Particularly, the phenylurea 13n exhibited a K-i value of 4 nM in AMPA receptor binding and represents the most potent competitive AMPA antagonist reported to dare. (C) 1997 Elsevier Science Ltd.