benzyl 4-(3-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate | 683275-52-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 4-(3-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• CAS: 683275-52-7
• 化学式: C₂₂H₂₄N₂O₃
• 分子量: 364.444
• InChiKey: INROQSQRXHHFSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  506.9±50.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl 4-(3-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  Discovery of a dihydropyrimidine series of molecules that selectively mimic the biological actions of calcitonin

  摘要：

  The use of a multiplex mimetic assay led us to identify 1,4-dihydropyrimidines with potent and selective calcitonin receptor mimetic activity. Subsequent modification of the clihydropyrimidine scaffold led to a series of molecules that were efficacious in a neonatal mouse calvaria in vitro model. Dihydropyrimidine 5h, in particular, was identified as a calcitonin mimetic (EC50 = 6 muM), active in-vivo in the Weanling rat model when administered subcutaneously. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.071
• 作为产物：
  描述：

  benzyl 3-oxohexanoate 、 尿素 、 3-甲基苯甲醛 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 benzyl 4-(3-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
  参考文献：
  名称：

  Discovery of a dihydropyrimidine series of molecules that selectively mimic the biological actions of calcitonin

  摘要：

  The use of a multiplex mimetic assay led us to identify 1,4-dihydropyrimidines with potent and selective calcitonin receptor mimetic activity. Subsequent modification of the clihydropyrimidine scaffold led to a series of molecules that were efficacious in a neonatal mouse calvaria in vitro model. Dihydropyrimidine 5h, in particular, was identified as a calcitonin mimetic (EC50 = 6 muM), active in-vivo in the Weanling rat model when administered subcutaneously. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.071