2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid [2-(4-benzyl-piperidin-1-yl)-ethyl]-amide | 86922-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid [2-(4-benzyl-piperidin-1-yl)-ethyl]-amide
• 英文别名: N-[2-(4-benzylpiperidin-1-yl)ethyl]-11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide
• CAS: 86922-28-3
• 化学式: C₃₀H₃₄N₄O₂
• 分子量: 482.626
• InChiKey: AFVYWZFHAIJPEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(4-苄基哌啶)-1-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， 生成 2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid [2-(4-benzyl-piperidin-1-yl)-ethyl]-amide
  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

• 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.