ethyl 2-(1-methylethyl)-4-oxo-4H-pyrido<1,2-a>thieno<2,3-d>pyrimidine-7-carboxylate | 76575-50-3

• 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: ethyl 2-(1-methylethyl)-4-oxo-4H-pyrido<1,2-a>thieno<2,3-d>pyrimidine-7-carboxylate
• 英文别名: 2-(1-methylethyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-7-carboxylic acid, ethyl ester；ethyl 2-oxo-5-propan-2-yl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-12-carboxylate
• CAS: 76575-50-3
• 化学式: C₁₆H₁₆N₂O₃S
• 分子量: 316.381
• InChiKey: ZNLDVEKSOKCSHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  87.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-5-异丙基噻吩-3-甲酸乙酯 在 盐酸 作用下， 反应 22.5h， 生成 ethyl 2-(1-methylethyl)-4-oxo-4H-pyrido<1,2-a>thieno<2,3-d>pyrimidine-7-carboxylate
  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

• Oxo-pyrido[1,2-a]thienopyrimidine compounds and methods for their
  申请人：Warner-Lambert Company

  公开号：US04230707A1

  公开（公告）日：1980-10-28

  Oxo-pyrido[1,2-a]thienopyrimidine compounds, salts thereof, methods of production, intermediates in their production, pharmaceutical compositions containing said compounds and methods for treating allergies using said compositions are disclosed.

  氧杂噻吡咯并[1,2-a]噻唑嘧啶化合物，其盐，生产方法，生产中间体，含有该化合物的药物组成物和使用该组成物治疗过敏的方法被披露。
• Dihydro-oxo-pyrido[1,2-a]thienopyrimidine compounds
  申请人：Warner-Lambert Company

  公开号：US04287340A1

  公开（公告）日：1981-09-01

  Oxo-pyrido[1,2-a]thienopyrimidine compounds, salts thereof, methods of production, intermediates in their production, pharmaceutical compositions containing said compounds and methods for treating allergies using said compositions are disclosed.

  本发明公开了Oxo-pyrido[1,2-a]thienopyrimidine化合物及其盐、制备方法、制备中间体、含有该化合物的制药组合物以及使用该组合物治疗过敏的方法。
• Certain 2-pyridylamino-3-thiophene carboxylic acid derivatives
  申请人：Warner-Lambert Company

  公开号：US04332947A1

  公开（公告）日：1982-06-01

  Oxo-pyrido[1,2-a]thienopyrimidine compounds, salts thereof, methods of production, intermediates in their production, pharmaceutical compositions containing said compounds and methods for treating allergies using said compositions are disclosed.

  本发明揭示了Oxo-pyrido[1,2-a]thienopyrimidine化合物及其盐、制备方法、制备中间体、含有该化合物的制药组合物以及使用该组合物治疗过敏的方法。
• TINNEY, F. J.;CETENKO, W. A.;KERBLESKI, J. J.;CONNOR, D. T.;SORENSON, R. +, J. MED. CHEM., 1981, 24, N 7, 878-882
  作者：TINNEY, F. J.、CETENKO, W. A.、KERBLESKI, J. J.、CONNOR, D. T.、SORENSON, R. +

  DOI：——

  日期：——