1,6,7-Trimethyl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione | 84731-26-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,6,7-Trimethyl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione
• 英文别名: 3,6,7-trimethylbenzo[f]benzotriazole-4,9-dione
• CAS: 84731-26-0
• 化学式: C₁₃H₁₁N₃O₂
• 分子量: 241.249
• InChiKey: SUWNYFHAEIHGAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.21
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  64.85
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2,3-dibromo-6,7-dimethylnaphthalene-1,4-dione 在 盐酸 、 sodium dithionite 、 硫酸 、 氨 、 potassium carbonate 、 sodium nitrite 作用下， 以 硝基苯 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.75h， 生成 1,6,7-Trimethyl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione
  参考文献：
  名称：

  Studies on v-triazoles. 9. Antiallergic 4,9-dihydro-4,9-dioxo-1H-naphtho[2,3-d]-v-triazoles

  摘要：

  A short series of the title compounds was prepared and evaluated for antiallergic activity in the rat passive cutaneous anaphylaxis screen. All but the two N-methylated derivatives were active in this screen by the intravenous route, the most potent being the symmetrical dimethyl compound, 4,9-dihydro-6,7-dimethyl-4,9-dioxo-1H-naphtho[2,3-d]-v-triazole, and its 5-nitro derivative. The latter two compounds were noticeably more potent than disodium cromoglycate, and one of these, the unnitrated material, was selected for further evaluation as a potential antiasthmatic drug.

  DOI：

  10.1021/jm00359a016

文献信息

• BUCKLE, D. R.;SMITH, H.;SPICER, B. A.;TEDDER, J. M., J. MED. CHEM., 1983, 26, N 5, 714-719
  作者：BUCKLE, D. R.、SMITH, H.、SPICER, B. A.、TEDDER, J. M.

  DOI：——

  日期：——