5-methoxy-2-(3,5-dimethylpyridin-2-ylmethanesulfinyl)-1H-imidazo[4,5-b]pyridine | 113712-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 5-methoxy-2-(3,5-dimethylpyridin-2-ylmethanesulfinyl)-1H-imidazo[4,5-b]pyridine
• 英文别名: 2-[(3,5-dimethylpyridin-2-yl)methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
• CAS: 113712-97-3
• 化学式: C₁₅H₁₆N₄O₂S
• 分子量: 316.384
• InChiKey: JUWRXKKPSDSUKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[(3,5-dimethylpyridin-2-yl)methylsulfanyl]-5-methoxy-1H-imidazo[4,5-b]pyridine 在 过氧乙酸 作用下， 反应 1.0h， 以23.7 g的产率得到5-methoxy-2-(3,5-dimethylpyridin-2-ylmethanesulfinyl)-1H-imidazo[4,5-b]pyridine
  参考文献：
  名称：

  Synthesis and Characterization of Metabolites and Potential Impurities of the Antiulcerative Drug Tenatoprazole

  摘要：

  Tenatoprazole (Ulsacare (R)) is a recently developed antiulcerative drug used for the treatment of both erosive and nonerosive gastroesophageal reflux disease. During the bulk synthesis of tenatoprazole, we have observed four impurities (tenatoprazole N-oxide, tenatoprazole sulfone N-oxide, N-methyl tenatoprazole, and desmethoxy tenatoprazole) and two metabolites (tenatoprazole sulfide and tenatoprazole sulfone). The present work describes the synthesis and characterization of these impurities.

  DOI：

  10.1080/00397910801986192

文献信息

• MATSUISHI, NAOTO;TAKEDA, HARUKI;IIZUMI, KENICHI;MURAKAMI, KIYOKAZU;HISAMI+
  作者：MATSUISHI, NAOTO、TAKEDA, HARUKI、IIZUMI, KENICHI、MURAKAMI, KIYOKAZU、HISAMI+

  DOI：——

  日期：——