1H-Pyrazole-4-acetic acid, 5-(2-ethyl-4-oxo-3(4H)-quinzolinyl)-1-methyl-, ethyl ester | 160662-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1H-Pyrazole-4-acetic acid, 5-(2-ethyl-4-oxo-3(4H)-quinzolinyl)-1-methyl-, ethyl ester
• 英文别名: ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate
• CAS: 160662-11-3
• 化学式: C₁₈H₂₀N₄O₃
• 分子量: 340.382
• InChiKey: NNRPUEWRBMWEBT-UHFFFAOYSA-N

物化性质

• 沸点：
  514.6±60.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  76.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-硝基苯甲酰氯 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 18.0h， 生成 1H-Pyrazole-4-acetic acid, 5-(2-ethyl-4-oxo-3(4H)-quinzolinyl)-1-methyl-, ethyl ester
  参考文献：
  名称：

  Synthesis and pharmacological study of ethyl 1-methyl-5-[2-substituted-4-oxo-3(4H)-quinazolinyl]-1H-pyrazole-4-acetates

  摘要：

  A number of new ethyl 1-methyl-5-[4-oxo-3(4H)-quinazolinyl]-1H-pyrazole-4-acetates substituted at the 2 position of the quinazolinone ring were prepared. The compounds were tested for analgesic and antiinflammatory activities, as well as for their acute toxicity and ulcerogenic effect. The 2-methyl, 2-ethyl and 2-phenyl derivatives proved to be more active than acetylsalicylic acid and phenylbutazone in the phenylbenzoquinone writhing test. The 2-methyl derivative was also as active as acetylsalicylic acid in the carrageenin paw oedema test. All the compounds showed very reduced ulcerogenic effects and systemic toxicity.

  DOI：

  10.1016/0223-5234(94)90033-7

文献信息

• Synthesis and pharmacological study of ethyl 1-methyl-5-[2-substituted-4-oxo-3(4H)-quinazolinyl]-1H-pyrazole-4-acetates
  作者：G Daidone、B Maggio、D Raffa、S Plescia、ML Bajardi、A Caruso、VMC Cutuli、M Amico-Roxas

  DOI：10.1016/0223-5234(94)90033-7

  日期：1994.1

  A number of new ethyl 1-methyl-5-[4-oxo-3(4H)-quinazolinyl]-1H-pyrazole-4-acetates substituted at the 2 position of the quinazolinone ring were prepared. The compounds were tested for analgesic and antiinflammatory activities, as well as for their acute toxicity and ulcerogenic effect. The 2-methyl, 2-ethyl and 2-phenyl derivatives proved to be more active than acetylsalicylic acid and phenylbutazone in the phenylbenzoquinone writhing test. The 2-methyl derivative was also as active as acetylsalicylic acid in the carrageenin paw oedema test. All the compounds showed very reduced ulcerogenic effects and systemic toxicity.