(6-Nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxalin-9-yl)-acetic acid methyl ester | 196198-61-5

• 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: (6-Nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxalin-9-yl)-acetic acid methyl ester
• 英文别名: methyl 2-(6-nitro-2,3-dioxo-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxalin-9-yl)acetate
• CAS: 196198-61-5
• 化学式: C₁₄H₁₄N₄O₆
• 分子量: 334.288
• InChiKey: AQNWNEUNXOHJRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (6-Nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxalin-9-yl)-acetic acid methyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 (6-Nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxalin-9-yl)-acetic acid
  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 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 三氟乙酸 为溶剂， 生成 (6-Nitro-2,3-dioxo-1,2,3,4,7,10-hexahydro-8H-pyrido[3,4-f]quinoxalin-9-yl)-acetic 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

• 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.