| 1310064-25-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 1310064-25-5
• 化学式: C₂₄H₂₆N₄O₂
• 分子量: 402.496
• InChiKey: LQPZRNWUGBVAKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  30.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  68.21
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以97%的产率得到4-(2-Methylphenyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
  参考文献：
  名称：

  Synthesis and SAR of pyrimidine-based, non-nucleotide P2Y14 receptor antagonists

  摘要：

  A weak antagonist of the pyrimidinergic receptor P2Y(14) containing a dihydropyridopyrimidine core was identified through high-throughput screening. Subsequent optimization led to potent, non-UTP competitive antagonists and represent the first reported non-nucleotide antagonists of this receptor. Compound 18q was identified as a 10 nM P2Y(14) antagonist with good oral bioavailability and provided sufficient exposure in mice to be used as a tool for future in vivo studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.084
• 作为产物：
  描述：

  tert-Butyl 4-hydroxy-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate, AldrichCPR 在 4-二甲氨基吡啶 、 potassium phosphate 、 palladium diacetate 、 三乙胺 、 2-(二环己基膦基)联苯 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Synthesis and SAR of pyrimidine-based, non-nucleotide P2Y14 receptor antagonists

  摘要：

  A weak antagonist of the pyrimidinergic receptor P2Y(14) containing a dihydropyridopyrimidine core was identified through high-throughput screening. Subsequent optimization led to potent, non-UTP competitive antagonists and represent the first reported non-nucleotide antagonists of this receptor. Compound 18q was identified as a 10 nM P2Y(14) antagonist with good oral bioavailability and provided sufficient exposure in mice to be used as a tool for future in vivo studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.084