ethyl n-propyl-N-(2-nitrophenyl)oxalinate | 92473-61-5

• 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: ethyl n-propyl-N-(2-nitrophenyl)oxalinate
• 英文别名: ethyl 2-(2-nitro-N-propylanilino)-2-oxoacetate
• CAS: 92473-61-5
• 化学式: C₁₃H₁₆N₂O₅
• 分子量: 280.28
• InChiKey: ZNCIRAQHVUDDQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  89.75
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl n-propyl-N-(2-nitrophenyl)oxalinate 在 palladium on activated charcoal 氯化亚砜 、 氢气 、 N,N-二甲基甲酰胺 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 25.0~230.0 ℃ 、344.73 kPa 条件下， 反应 7.42h， 生成 7-Chloro-5-methyl[1,2,4]triazolo[4,3-a]quinoxaline-1,4(2H,5H)-dione
  参考文献：
  名称：

  1,2,4-Triazolo[4,3-a]quinoxaline-1,4-diones as antiallergic agents

  摘要：

  A series of new 1,4-dihydro-1,2,4-triazolo[4,3-]quinoxaline-1,4-diones has been prepared. These compounds were tested as inhibitors of antigen-induced release of histamine (AIR) in vitro from rat peritoneal mast cells (RMC) and as inhibitors of IgE-mediated rat passive cutaneous anaphylaxis (PCA). Most of this new class of antiallergic agents showed good activity in the RMC and PCA tests. The most potent compound, 2-acetyl-7-chloro-5-n-propyl-1,2,4-triazolo[4,3-a]quinoxaline-1,4-dione (1x), with an I50 value of 0.1 microM, is 30 times more potent than disodium cromoglycate (DSCG) in the RMC assay.

  DOI：

  10.1021/jm00381a016
• 作为产物：
  描述：

  硝基氯苯 、 alkaline earth salt of/the/ methylsulfuric acid 在 三乙胺 作用下， 以 乙醚 、 乙醇 、 水 为溶剂， 反应 1.0h， 生成 ethyl n-propyl-N-(2-nitrophenyl)oxalinate
  参考文献：
  名称：

  1,2,4-Triazolo[4,3-a]quinoxaline-1,4-diones as antiallergic agents

  摘要：

  A series of new 1,4-dihydro-1,2,4-triazolo[4,3-]quinoxaline-1,4-diones has been prepared. These compounds were tested as inhibitors of antigen-induced release of histamine (AIR) in vitro from rat peritoneal mast cells (RMC) and as inhibitors of IgE-mediated rat passive cutaneous anaphylaxis (PCA). Most of this new class of antiallergic agents showed good activity in the RMC and PCA tests. The most potent compound, 2-acetyl-7-chloro-5-n-propyl-1,2,4-triazolo[4,3-a]quinoxaline-1,4-dione (1x), with an I50 value of 0.1 microM, is 30 times more potent than disodium cromoglycate (DSCG) in the RMC assay.

  DOI：

  10.1021/jm00381a016

文献信息

• LOEV, B.;MUSSER, J. H.;BROWN, R. E.;JONES, H.;KAHEN, R.;HUANG, FU-CHIH;KH+, J. MED. CHEM., 1985, 28, N 3, 363-366
  作者：LOEV, B.、MUSSER, J. H.、BROWN, R. E.、JONES, H.、KAHEN, R.、HUANG, FU-CHIH、KH+

  DOI：——

  日期：——