2-isopropoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (2-diethylaminoethyl) ester hydrochloride | 68701-41-7

• 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: 2-isopropoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (2-diethylaminoethyl) ester hydrochloride
• 英文别名: 2-(Diethylamino)ethyl 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carboxylate;hydrochloride
• CAS: 68701-41-7
• 化学式: C₂₂H₂₇N₃O₄*ClH
• 分子量: 433.935
• InChiKey: NMKMWAJFDLTMRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-氯烟酸 在 sodium hydroxide 、 potassium iodide 作用下， 以 various solvent(s) 为溶剂， 反应 24.0h， 生成 2-isopropoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-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

• 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：——
• Antagonists of slow-reacting substance of anaphylaxis. 1. Pyrido[2,1-b]quinazolinecarboxylic acid derivatives
  作者：Jefferson W. Tilley、Paul Levitan、Ann F. Welton、Herman J. Crowley

  DOI：10.1021/jm00365a016

  日期：1983.11

  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.