2-[4-(4-Bromobenzoyl)-1-piperazinyl]pyrimidine | 547703-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[4-(4-Bromobenzoyl)-1-piperazinyl]pyrimidine
• 英文别名: (4-bromophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
• CAS: 547703-37-7
• 化学式: C₁₅H₁₅BrN₄O
• mdl: MFCD03397580
• 分子量: 347.214
• InChiKey: XQBGKNNGBZQGQU-UHFFFAOYSA-N

物化性质

• 溶解度：
  44.6 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  49.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[4-(4-Bromobenzoyl)-1-piperazinyl]pyrimidine 、 2-吡啶硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium phosphate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 生成 (4-(pyridin-2-yl)phenyl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
  参考文献：
  名称：

  Novel inhibitors of the high-affinity l-proline transporter as potential therapeutic agents for the treatment of cognitive disorders

  摘要：

  The incidence of cognitive disorders such as Alzheimer's disease continues to increase unabated. While cures for such diseases have eluded investigators, progress is being made on alleviating certain symptoms of these diseases. Mouse knockouts of the proline transporter (PROT), a high affinity Na(+)/Cl(-)-dependent transporter, indicated its potential as a novel therapeutic target for cognition improvement. Herein we report our investigation into a novel class of PROT inhibitors.

  DOI：

  10.1016/j.bmcl.2014.06.049
• 作为产物：
  描述：

  1-(2-嘧啶基)哌嗪 、 4-溴苯甲酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4-(4-Bromobenzoyl)-1-piperazinyl]pyrimidine
  参考文献：
  名称：

  Novel inhibitors of the high-affinity l-proline transporter as potential therapeutic agents for the treatment of cognitive disorders

  摘要：

  The incidence of cognitive disorders such as Alzheimer's disease continues to increase unabated. While cures for such diseases have eluded investigators, progress is being made on alleviating certain symptoms of these diseases. Mouse knockouts of the proline transporter (PROT), a high affinity Na(+)/Cl(-)-dependent transporter, indicated its potential as a novel therapeutic target for cognition improvement. Herein we report our investigation into a novel class of PROT inhibitors.

  DOI：

  10.1016/j.bmcl.2014.06.049