2-Quinazolin-2-yl-malonaldehyde | 920974-64-7

• 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-Quinazolin-2-yl-malonaldehyde
• 英文别名: (Quinazolin-2-yl)propanedial；2-quinazolin-2-ylpropanedial
• CAS: 920974-64-7
• 化学式: C₁₁H₈N₂O₂
• 分子量: 200.197
• InChiKey: ZIIGQFUEECFJLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  59.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Quinazolin-2-yl-malonaldehyde 、 2-Hydrazinyl-N-[(3R)-oxolan-3-yl]adenosine 以 乙醇 为溶剂， 生成 (2R,3S,4R,5R)-2-Hydroxymethyl-5-{2-(4-quinazolin-2-yl-pyrazol-1-yl)-6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-3,4-diol
  参考文献：
  名称：

  N6-Cycloalkyl-2-substituted adenosine derivatives as selective, high affinity adenosine A1 receptor agonists

  摘要：

  A series of new selective, high affinity A(1)-AdoR agonists is reported. Compound 23 that incorporated a carboxylic acid functionality in the 4-position of the pyrazole ring displayed K-iL value of 1 nM for the A(1)-AdoR and > 5000-fold selectivity over the A(3) and A(2A)-AdoRs. In addition, compound 19 that incorporated a carboxamide functionality in the 4-position of the pyrazole ring displayed subnanomolar affinity for the A(1)-AdoR (K-iL = 0.6 nM) and > 600-fold selectivity over the A(3) and A(2A)-AdoRs. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.065