2-Isobutyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carbonyl chloride | 86922-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-Isobutyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carbonyl chloride
• CAS: 86922-43-2
• 化学式: C₁₇H₁₅ClN₂O₂
• 分子量: 314.771
• InChiKey: SRKRUSCKJUAGBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  51.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Isobutyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carbonyl chloride 、 N,N-二乙基乙二胺 以 甲苯 为溶剂， 反应 2.5h， 生成 2-Isobutyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (2-diethylamino-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
• 作为产物：
  描述：

  6-氯烟酸 在 甲酸 、 氯化亚砜 作用下， 以 乙二醇二甲醚 为溶剂， 反应 8.0h， 生成 2-Isobutyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carbonyl chloride
  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