2,6-二甲基-咪唑并[1,2-a]吡嗪-3-羧酸 | 190381-50-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡嗪类
• 中文名称: 2,6-二甲基-咪唑并[1,2-a]吡嗪-3-羧酸
• 中文别名: 2,6-二甲基咪唑并[1,2-A]吡嗪-3-羧酸
• 英文名称: 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylic acid
• CAS: 190381-50-1
• 化学式: C₉H₉N₃O₂
• 分子量: 191.189
• InChiKey: DKTXOPQYFSOHFU-UHFFFAOYSA-N

物化性质

• 密度：
  1.43

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P330,P362,P403+P233,P501
• 危险性描述：
  H302,H312,H332

反应信息

• 作为产物：
  描述：

  2-氨基-5-甲基吡嗪 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成 2,6-二甲基-咪唑并[1,2-a]吡嗪-3-羧酸
  参考文献：
  名称：

  Research on heterocyclic compounds. XXXVII. Synthesis and antiinflammatory activity of methyl-substituted imidazo[1,2-a]pyrazine derivatives

  摘要：

  A series of methyl-substituted imidazo[1,2-a]pyrazines 8 bearing a carboxylic acid group on the imidazole ring were synthesized. The structures of new compounds were confirmed by H-1- and C-13-NMR spectral data; the correct assignment of carbon resonances was made by means of HETCOR and COLOC experiments. Antiinflammatory, analgesic and ulcerogenic activities in vivo were evaluated and compared with those of antiinflammatory imidazopyrazines (2 and 3) and indomethacin. The inhibitory action on cyclooxygenase activity was evaluated in vitro. Compounds 8 were found to be less potent than indomethacin in these assays. SARs are discussed.

  DOI：

  10.1016/s0223-5234(97)83971-2

文献信息

• Research on heterocyclic compounds. XXXVII. Synthesis and antiinflammatory activity of methyl-substituted imidazo[1,2-a]pyrazine derivatives
  作者：MG Rimoli、L Avallone、P de Caprariis、E Luraschi、E Abignente、W Filippelli、L Berrino、F Rossi

  DOI：10.1016/s0223-5234(97)83971-2

  日期：1997.1

  A series of methyl-substituted imidazo[1,2-a]pyrazines 8 bearing a carboxylic acid group on the imidazole ring were synthesized. The structures of new compounds were confirmed by H-1- and C-13-NMR spectral data; the correct assignment of carbon resonances was made by means of HETCOR and COLOC experiments. Antiinflammatory, analgesic and ulcerogenic activities in vivo were evaluated and compared with those of antiinflammatory imidazopyrazines (2 and 3) and indomethacin. The inhibitory action on cyclooxygenase activity was evaluated in vitro. Compounds 8 were found to be less potent than indomethacin in these assays. SARs are discussed.