8-isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carboxylic acid (2-diethylaminoethyl)ester hydrochloride | 68700-97-0

• 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: 8-isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carboxylic acid (2-diethylaminoethyl)ester hydrochloride
• 英文别名: 2-(Diethylamino)ethyl 11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylate;hydrochloride
• CAS: 68700-97-0
• 化学式: C₂₂H₂₇N₃O₃*ClH
• 分子量: 417.936
• InChiKey: YDVVDTQDDKPUDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  62.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-二乙氨基氯乙烷盐酸盐 、 8-(1-methylethyl)-11-oxo-11H-pyrido<2,1-b>quinazoline-2-carboxylic acid 在 sodium hydroxide 作用下， 生成 8-isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carboxylic acid (2-diethylaminoethyl)ester hydrochloride
  参考文献：
  名称：

  Antagonists of slow-reacting substance of anaphylaxis. 1. Pyrido[2,1-b]quinazolinecarboxylic acid derivatives

  摘要：

  Members of a series of basic amide and ester derivatives of 2-substituted pyrido[2,1-b]quinazoline-8-carboxylic acids were prepared and evaluated for their ability to prevent slow-reacting substance of anaphylaxis (SRS-A) induced contractions of guinea pig ilea. The results indicate that the presence of a branched-chain alkyl group in the 2-position and a sterically demanding substituted aminoethyl carboxylate or carboxamide in the 8-position give optimal in vitro activity. The phenylpiperazine 25 was further found to block SRS-A-related symptomatology after intravenous administration in two animal models.

  DOI：

  10.1021/jm00365a016

文献信息

• Substituted 11-oxo-11H-pyrido[2,1-b]quinazolines and method of
  申请人：Hoffmann-La Roche Inc.

  公开号：US04348396A1

  公开（公告）日：1982-09-07

  Pyrido[2,1-b]quinazolines of the formulas ##STR1## wherein R.sub.1, R.sub.1 ', R.sub.2, R.sub.2 ', R.sub.3, R.sub.3 ', R.sub.4 and R.sub.10 are as hereinafter set forth, and processes for the preparation thereof, are described. The compounds of formulas I and II are useful as agents in the prevention of allergic reactions.

  本文描述了具有以下结构的吡啶并[2,1-b]喹唑啉的化学式##STR1##其中R.sub.1、R.sub.1'、R.sub.2、R.sub.2'、R.sub.3、R.sub.3'、R.sub.4和R.sub.10如下所述，以及其制备方法。化合物I和II的化学式对于预防过敏反应是有用的。
• TILLEY, J. W.;LEVITAN, P.;WELTON, A. F.;CROWLEY, H. J., J. MED. CHEM., 1983, 26, N 11, 1638-1642
  作者：TILLEY, J. W.、LEVITAN, P.、WELTON, A. F.、CROWLEY, H. J.

  DOI：——

  日期：——