2-phenyl-4-chloro-5-benzyl-6-methyl-pyrimidine | 27351-55-9

• 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-phenyl-4-chloro-5-benzyl-6-methyl-pyrimidine
• 英文别名: 5-benzyl-4-chloro-6-methyl-2-phenyl-pyrimidine；5-Benzyl-4-chloro-6-methyl-2-phenylpyrimidine
• CAS: 27351-55-9
• 化学式: C₁₈H₁₅ClN₂
• 分子量: 294.783
• InChiKey: SRMJNNHEPMCYKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-phenyl-4-chloro-5-benzyl-6-methyl-pyrimidine 、 4-氨基苯甲酸甲酯 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 生成 Methyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate
  参考文献：
  名称：

  Discovery of selective PDE4B inhibitors

  摘要：

  In this study the first PDE4B selective inhibitor is described. Optimization of lead 2-arylpyrimidine derivatives afforded a series of potent PDE4B inhibitors with >100-fold selectivity over the PDE4D isozyme. With a good pharmacokinetic profile, a selected compound exhibited potent anti-inflammatory effects in vivo and showed less emesis compared with Cilomilast. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.121
• 作为产物：
  描述：

  2-Phenyl-5-benzyl-6-methyl-4(3H)-pyrimidon 在 三氯氧磷 作用下， 生成 2-phenyl-4-chloro-5-benzyl-6-methyl-pyrimidine
  参考文献：
  名称：

  Discovery of selective PDE4B inhibitors

  摘要：

  In this study the first PDE4B selective inhibitor is described. Optimization of lead 2-arylpyrimidine derivatives afforded a series of potent PDE4B inhibitors with >100-fold selectivity over the PDE4D isozyme. With a good pharmacokinetic profile, a selected compound exhibited potent anti-inflammatory effects in vivo and showed less emesis compared with Cilomilast. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.121