2-(2-chloropyrimidin-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2-(2-chloropyrimidin-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 2-(2-chloropyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
• 化学式: C₁₅H₁₆ClN₃O₂
• 分子量: 305.764
• InChiKey: BCLUUWRPGWNMHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  47.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-chloropyrimidin-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 、 1H-苯并咪唑-2-硫醇 在 盐酸 作用下， 以 水 、 异丙醇 为溶剂， 以73.2%的产率得到2-(2-(1H-benzo[d]imidazol-2-ylthio) pyrimidin-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Design, Synthesis, and Preliminary Activity Evaluation of Novel Pyrimidine Derivatives as Acid Pump Antagonists

  摘要：

  Acid‐related diseases of the upper gastrointestinal tract, especially gastroesophageal reflux disease (GERD), remain a widespread problem worldwide. In this paper, we reported the design, synthesis, and preliminary gastric antisecretory activity evaluation of novel pyrimidine derivatives as acid pump antagonists. The gastric antisecretory activity assay results showed that all compounds displayed potent gastric antisecretory activity when gastric secretion was stimulated by histamine. The most potent compound 5g exhibited even similar gastric antisecretory activity compared with the control revaprazan, and the relative inhibition rate was 93.0%, which was worthy of further investigation.

  DOI：

  10.1111/cbdd.12390
• 作为产物：
  描述：

  2,4-二氯嘧啶 、 6,7-二甲氧基-1,2,3,4-四氢异喹啉 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以52.4%的产率得到2-(2-chloropyrimidin-4-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Design, Synthesis, and Preliminary Activity Evaluation of Novel Pyrimidine Derivatives as Acid Pump Antagonists

  摘要：

  Acid‐related diseases of the upper gastrointestinal tract, especially gastroesophageal reflux disease (GERD), remain a widespread problem worldwide. In this paper, we reported the design, synthesis, and preliminary gastric antisecretory activity evaluation of novel pyrimidine derivatives as acid pump antagonists. The gastric antisecretory activity assay results showed that all compounds displayed potent gastric antisecretory activity when gastric secretion was stimulated by histamine. The most potent compound 5g exhibited even similar gastric antisecretory activity compared with the control revaprazan, and the relative inhibition rate was 93.0%, which was worthy of further investigation.

  DOI：

  10.1111/cbdd.12390

文献信息

• Design, Synthesis, and Preliminary Activity Evaluation of Novel Pyrimidine Derivatives as Acid Pump Antagonists
  作者：Weiguo Song、Xiaopan Zhang、Shutao Li、Wenfang Xu

  DOI：10.1111/cbdd.12390

  日期：2015.3

  Acid‐related diseases of the upper gastrointestinal tract, especially gastroesophageal reflux disease (GERD), remain a widespread problem worldwide. In this paper, we reported the design, synthesis, and preliminary gastric antisecretory activity evaluation of novel pyrimidine derivatives as acid pump antagonists. The gastric antisecretory activity assay results showed that all compounds displayed potent gastric antisecretory activity when gastric secretion was stimulated by histamine. The most potent compound 5g exhibited even similar gastric antisecretory activity compared with the control revaprazan, and the relative inhibition rate was 93.0%, which was worthy of further investigation.