2-[(3,5-dimethylpyridin-2-yl)methylsulfanyl]-5-methoxy-1H-imidazo[4,5-b]pyridine | 113713-23-8

• 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: 2-[(3,5-dimethylpyridin-2-yl)methylsulfanyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
• CAS: 113713-23-8
• 化学式: C₁₅H₁₆N₄OS
• 分子量: 300.384
• InChiKey: QGPDTNSUKFTEAD-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：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  3,5-二甲基-2-氯甲基吡啶盐酸盐 、 2-巯基-5-甲氧基咪唑[4,5-b]吡啶 在 sodium hydroxide 作用下， 以 水 、 丙酮 为溶剂， 反应 1.25h， 生成 2-[(3,5-dimethylpyridin-2-yl)methylsulfanyl]-5-methoxy-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：——