[1-Methyl-5-(6-methyl-4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-1H-pyrazol-4-yl]-acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并-1,2,3-三嗪类化合物
• 英文名称: [1-Methyl-5-(6-methyl-4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-1H-pyrazol-4-yl]-acetic acid
• 英文别名: 2-[1-Methyl-5-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)pyrazol-4-yl]acetic acid
• 化学式: C₁₄H₁₃N₅O₃
• 分子量: 299.289
• InChiKey: BZPZVJKMCSELRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-甲基-2-硝基苯甲酰氯 在 盐酸 、 sodium hydroxide 、 potassium nitrite 、 水 、 铁粉 、 溶剂黄146 、 三乙胺 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 31.0h， 生成 [1-Methyl-5-(6-methyl-4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-1H-pyrazol-4-yl]-acetic acid
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 1-methyl-5- [substituted-4(3H)-oxo-1,2,3-benzotriazin-3-yl]-1H-pyrazole-4-acetic acid derivatives

  摘要：

  Several new 1-methyl-5-[substituted-dioxo-1,2,3-benzotriazin-3-yl]-1H-pyrazole-4-acetic acids and their ethyl ester derivatives were prepared. The compounds were tested for analgesic and antiinflammatory activities, acute toxicity, ulcerogenic effect, and as in vitro inhibitors of 3 alpha-hydroxysteroid dehydrogenase (3 alpha-HSD), since it is claimed that the inhibition of such an enzyme predicts in vivo antiinflammatory activity. Some compounds were more active than phenylbutazone in the phenylbenzoquinone and acetic acid peritonitis tests, and equiactive to the same drug in the carrageenin paw edema test. All the compounds inhibited the 3 alpha-HSD, but no correlation was observed with the paw edema inhibition values. The compounds proved to possess marginal or no ulcerogenic effect as well as low systemic toxicity. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00034-2