2-Allyl-7-chloro-5-propyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione | 90042-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Allyl-7-chloro-5-propyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
• 英文别名: 7-Chloro-2-prop-2-enyl-5-propyl-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
• CAS: 90042-38-9
• 化学式: C₁₅H₁₅ClN₄O₂
• 分子量: 318.763
• InChiKey: JPESXCOHWYKSOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  56.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-Chloro-5-propyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione 生成 2-Allyl-7-chloro-5-propyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
  参考文献：
  名称：

  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

  摘要：

  DOI：

文献信息

• 1,2,4-Triazolo[4,3-a]quinoxaline-1,4-diones as antiallergic agents
  作者：Bernard Loev、John H. Musser、Richard E. Brown、Howard Jones、Robert Kahen、Fu Chih Huang、Atul Khandwala、Paula Sonnino-Goldman、Mitchell J. Leibowitz

  DOI：10.1021/jm00381a016

  日期：1985.3

  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.