| 1415657-64-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• CAS: 1415657-64-5
• 化学式: C₂₂H₁₅ClO₃
• 分子量: 362.812
• InChiKey: MDBKOEYUVSSYRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  39.44
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  盐酸胍 、 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 以35%的产率得到4-(2-hydroxy-4-benzyloxyphenyl)-6-(2-chlorophenyl)-2-aminopyrimidine
  参考文献：
  名称：

  Synthesis of novel 4,6-diaryl-2-aminopyrimidines as potential antiplasmodial agents

  摘要：

  A novel series of 4,6-diaryl-2-aminopyrimidines 8a-o has been synthesized and evaluated for in vitro antiplasmodial activity against Plasmodium falciparum. Out of the 15 compounds synthesized and tested, 6 compounds have shown IC50 values in the range of 1.61-9.53 mu g/mL. These compounds are several times more potent than chloroquine and quinine, the two standard drugs used for the purpose of comparison.

  DOI：

  10.1007/s00044-012-0328-z
• 作为产物：
  描述：

  在 硫酸 、 溶剂黄146 作用下， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis of novel 4,6-diaryl-2-aminopyrimidines as potential antiplasmodial agents

  摘要：

  A novel series of 4,6-diaryl-2-aminopyrimidines 8a-o has been synthesized and evaluated for in vitro antiplasmodial activity against Plasmodium falciparum. Out of the 15 compounds synthesized and tested, 6 compounds have shown IC50 values in the range of 1.61-9.53 mu g/mL. These compounds are several times more potent than chloroquine and quinine, the two standard drugs used for the purpose of comparison.

  DOI：

  10.1007/s00044-012-0328-z