4-[2-(6-Nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxaline-9yl)-acetylamino]-butyric acid methyl ester | 196198-64-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-[2-(6-Nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxaline-9yl)-acetylamino]-butyric acid methyl ester
• 英文别名: methyl 4-[[2-(6-nitro-2,3-dioxo-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxalin-9-yl)acetyl]amino]butanoate
• CAS: 196198-64-8
• 化学式: C₁₈H₂₁N₅O₇
• 分子量: 419.394
• InChiKey: YGGBPIOHIXFFEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  163
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[2-(6-Nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxaline-9yl)-acetylamino]-butyric acid methyl ester 在 sodium hydroxide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[2-(4-Hydroxy-phenyl)-ethyl]-4-[2-(6-nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxalin-9-yl)-acetylamino]-butyramide
  参考文献：
  名称：

  Synthesis of N-desmethyl PNQX: elaboration into an immunogenic conjugate and a radioiodinated ligand; radioimmunoassay for the AMPA/NMDA antagonist, PNQX

  摘要：

  A nine-step synthesis of N-desmethyl PNQX 5 and its subsequent elaboration into analogs, a porcine thyroglobulin immunogenic conjugate 8, and a radioiodinated analyte 10 are described. These compounds were used for the development of a specific radioimmunoassay for PNQX, a potent neuroprotective agent with mixed AMPA/NMDA glycine site antagonist activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00344-2
• 作为产物：
  描述：

  1,2,3,4-四氢-7,8-异喹啉二胺 在 盐酸 、 硝酸 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 三氟乙酸 为溶剂， 生成 4-[2-(6-Nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxaline-9yl)-acetylamino]-butyric acid methyl ester
  参考文献：
  名称：

  Synthesis of N-desmethyl PNQX: elaboration into an immunogenic conjugate and a radioiodinated ligand; radioimmunoassay for the AMPA/NMDA antagonist, PNQX

  摘要：

  A nine-step synthesis of N-desmethyl PNQX 5 and its subsequent elaboration into analogs, a porcine thyroglobulin immunogenic conjugate 8, and a radioiodinated analyte 10 are described. These compounds were used for the development of a specific radioimmunoassay for PNQX, a potent neuroprotective agent with mixed AMPA/NMDA glycine site antagonist activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00344-2

文献信息

• US5968928A
  申请人：——

  公开号：US5968928A

  公开（公告）日：1999-10-19
• Synthesis of N-desmethyl PNQX: elaboration into an immunogenic conjugate and a radioiodinated ligand; radioimmunoassay for the AMPA/NMDA antagonist, PNQX
  作者：Christopher F Bigge、C Stephen Yi、Gerald D Nordblom

  DOI：10.1016/s0960-894x(97)00344-2

  日期：1997.8

  A nine-step synthesis of N-desmethyl PNQX 5 and its subsequent elaboration into analogs, a porcine thyroglobulin immunogenic conjugate 8, and a radioiodinated analyte 10 are described. These compounds were used for the development of a specific radioimmunoassay for PNQX, a potent neuroprotective agent with mixed AMPA/NMDA glycine site antagonist activity. (C) 1997 Elsevier Science Ltd.