2-amino-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one | 1228035-26-4

• 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-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one
• 英文别名: 2-amino-9-[(2,5-dimethylpyrrolidin-1-yl)methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
• CAS: 1228035-26-4
• 化学式: C₂₄H₂₄N₄O
• 分子量: 384.481
• InChiKey: UMJOOJXWGPXRLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,5-二甲基吡咯烷 、 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-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-phenyl-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

文献信息

• Methylene amine substituted arylindenopyrimidines as potent adenosine A2A/A1 antagonists
  作者：Brian C. Shook、Stefanie Rassnick、Daniel Hall、Kenneth C. Rupert、Geoffrey R. Heintzelman、Kristen Hansen、Devraj Chakravarty、James L. Bullington、Robert H. Scannevin、Brian Magliaro、Lori Westover、Karen Carroll、Lisa Lampron、Ronald Russell、Shawn Branum、Kenneth Wells、Sandra Damon、Scott Youells、Xun Li、Mel Osbourne、Keith Demarest、Yuting Tang、Kenneth Rhodes、Paul F. Jackson

  DOI：10.1016/j.bmcl.2010.03.042

  日期：2010.5

  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.