N-<2-(4-phenyl-1-piperazinyl)ethyl>-2-(1-methylethyl)-11-oxo-11H-pyrido<2,1-b>quinazoline-8-carboxamide | 86922-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-<2-(4-phenyl-1-piperazinyl)ethyl>-2-(1-methylethyl)-11-oxo-11H-pyrido<2,1-b>quinazoline-8-carboxamide
• 英文别名: 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide
• CAS: 86922-32-9
• 化学式: C₂₈H₃₁N₅O₂
• 分子量: 469.586
• InChiKey: XYYIYKRFSGVWQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  68.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(4-苯基-哌嗪-1-基)-乙胺 、 2-(1-methylethyl)-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid 在 二苯基膦叠氮化物 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以72%的产率得到N-<2-(4-phenyl-1-piperazinyl)ethyl>-2-(1-methylethyl)-11-oxo-11H-pyrido<2,1-b>quinazoline-8-carboxamide
  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.