2-(1-methylethyl)-11-oxo-11H-pyrido<2,1-b>quinazoline-8-carboxylic acid chloride | 86921-96-2

• 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-(1-methylethyl)-11-oxo-11H-pyrido<2,1-b>quinazoline-8-carboxylic acid chloride
• 英文别名: 11-Oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carbonyl chloride
• CAS: 86921-96-2
• 化学式: C₁₆H₁₃ClN₂O₂
• 分子量: 300.744
• InChiKey: UKXWYZNOTSPNJD-UHFFFAOYSA-N

物化性质

• 沸点：
  435.1±55.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-二异丙基乙二胺 、 2-(1-methylethyl)-11-oxo-11H-pyrido<2,1-b>quinazoline-8-carboxylic acid chloride 以 甲苯 为溶剂， 反应 2.5h， 生成 N-[2-[di(propan-2-yl)amino]ethyl]-11-oxo-2-propan-2-ylpyrido[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
• 作为产物：
  描述：

  2-(1-methylethyl)-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid 在 氯化亚砜 作用下， 反应 3.0h， 生成 2-(1-methylethyl)-11-oxo-11H-pyrido<2,1-b>quinazoline-8-carboxylic acid 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