2-Amino-8-fluoro-4-phenylindeno[1,2-d]pyrimidin-5-one | 1229021-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-Amino-8-fluoro-4-phenylindeno[1,2-d]pyrimidin-5-one
• CAS: 1229021-59-3
• 化学式: C₁₇H₁₀FN₃O
• 分子量: 291.284
• InChiKey: NSRIXRYDOBOFSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-氨乙基)吡啶 、 2-Amino-8-fluoro-4-phenylindeno[1,2-d]pyrimidin-5-one 以 N-甲基吡咯烷酮 为溶剂， 生成 2-amino-4-phenyl-8-(2-(pyridin-2-yl)ethylamino)-5H-indeno[1,2-d]pyrimidin-5-one
  参考文献：
  名称：

  Optimization of arylindenopyrimidines as potent adenosine A2A/A1 antagonists

  摘要：

  Two reactive metabolites were identified in vivo for the dual A(2A)/A(1) receptor antagonist 1. Two strategies were implemented to successfully mitigate the metabolic liabilities associated with 1. Optimization of the arylindenopyrimidines led to a number of amide, ether, and amino analogs having comparable in vitro and in vivo activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.024
• 作为产物：
  描述：

  生成 2-Amino-8-fluoro-4-phenylindeno[1,2-d]pyrimidin-5-one
  参考文献：
  名称：

  Optimization of arylindenopyrimidines as potent adenosine A2A/A1 antagonists

  摘要：

  Two reactive metabolites were identified in vivo for the dual A(2A)/A(1) receptor antagonist 1. Two strategies were implemented to successfully mitigate the metabolic liabilities associated with 1. Optimization of the arylindenopyrimidines led to a number of amide, ether, and amino analogs having comparable in vitro and in vivo activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.024