5-O-ethyl 12-O-methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5,12-dicarboxylate | 77366-08-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 5-O-ethyl 12-O-methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5,12-dicarboxylate
• CAS: 77366-08-6
• 化学式: C₁₆H₁₄N₂O₅S
• 分子量: 346.364
• InChiKey: NQSNDQWHMOFKRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-氯烟酸甲酯 、 2-ethyl 4-methyl 5-amino-3-methyl-2,4-thiophenedicarboxylate 反应 3.0h， 生成 5-O-ethyl 12-O-methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5,12-dicarboxylate
  参考文献：
  名称：

  Synthesis and antiallergy activity of 4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidines

  摘要：

  A series of 4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidines with substitutions in the 2, 3, and 7 positions was prepared. The compounds were evaluated in the rat passive cutaneous anaphylaxis test for antiallergy activity. Several compounds had potent oral activity and were found to be superior to disodium cromoglycate and doxantrazole. Structure-activity relationships are discussed.

  DOI：

  10.1021/jm00139a021

文献信息

• Synthesis and antiallergy activity of 4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidines
  作者：Francis J. Tinney、Wiaczeslaw A. Cetenko、Joseph J. Kerbleski、David T. Connor、Roderick J. Sorenson、David J. Herzig

  DOI：10.1021/jm00139a021

  日期：1981.7

  A series of 4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidines with substitutions in the 2, 3, and 7 positions was prepared. The compounds were evaluated in the rat passive cutaneous anaphylaxis test for antiallergy activity. Several compounds had potent oral activity and were found to be superior to disodium cromoglycate and doxantrazole. Structure-activity relationships are discussed.