2-amino-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-9-carbaldehyde | 1243372-00-0

• 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-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-9-carbaldehyde
• CAS: 1243372-00-0
• 化学式: C₁₈H₁₁N₃O₂
• 分子量: 301.304
• InChiKey: NYIDWUGCQHVQBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.94
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  哌啶 、 2-amino-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-9-carbaldehyde 在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 为溶剂， 生成 2-amino-4-phenyl-9-(piperidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one
  参考文献：
  名称：

  Methylene amine substituted arylindenopyrimidines as potent adenosine A2A/A1 antagonists

  摘要：

  A novel series of arylindenopyrimidines were identified as A(2A) and A(1) receptor antagonists. The series was optimized for in vitro activity by substituting the 8- and 9-positions with methylene amine substituents. The compounds show excellent activity in mouse models of Parkinson's disease when dosed orally. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.042
• 作为产物：
  描述：

  2-amino-9-(1,2-dihydroxyethyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one 在 过碘酸 作用下， 以 四氢呋喃 为溶剂， 生成 2-amino-5-oxo-4-phenyl-5H-indeno[1,2-d]pyrimidine-9-carbaldehyde
  参考文献：
  名称：

  Methylene amine substituted arylindenopyrimidines as potent adenosine A2A/A1 antagonists

  摘要：

  A novel series of arylindenopyrimidines were identified as A(2A) and A(1) receptor antagonists. The series was optimized for in vitro activity by substituting the 8- and 9-positions with methylene amine substituents. The compounds show excellent activity in mouse models of Parkinson's disease when dosed orally. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.042