{4-[5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethanesulfinyl)benzimidazole-1-sulfonyl]phenoxy}acetic acid | 651729-53-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: {4-[5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethanesulfinyl)benzimidazole-1-sulfonyl]phenoxy}acetic acid
• 英文别名: {4-[5-methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-benzoimidazole-1-sulfonyl]-phenoxy}-acetic acid；2-{4-[(5-methoxy-2-{[(4-methoxy-3,5-dimethyl(pyridin-2-yl))methyl]sulfonyl}benzimidazolyl)sulfonyl]phenoxy}acetic acid；Acetic acid, 2-(4-((5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazol-1-yl)sulfonyl)phenoxy)-；2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetic acid
• CAS: 651729-53-2
• 化学式: C₂₅H₂₅N₃O₈S₂
• 分子量: 559.621
• InChiKey: PPCGSVWOZKNPCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  175
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  {4-[5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethanesulfinyl)benzimidazole-1-sulfonyl]phenoxy}acetic acid 在 sodium hydroxide 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 0.33h， 生成 {4-[5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethanesulfinyl)benzimidazole-1-sulfonyl]phenoxy}acetic acid sodium salt
  参考文献：
  名称：

  Process for preparing isomerically pure prodrugs of proton pump inhibitors

  摘要：

  合成方法用于制备质子泵抑制剂的同分异构纯N-芳基磺酰衍生物，其中包括取代苯并咪唑核。这些合成方案和实验描述已经展示。

  公开号：

  US20050038076A1
• 作为产物：
  描述：

  {4-[5-methoxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinylbenzimidazole-1-sulfonyl]phenoxy}acetic acid methyl ester 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 乙二醇二甲醚 、 水 、 乙酸乙酯 为溶剂， 以53%的产率得到{4-[5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethanesulfinyl)benzimidazole-1-sulfonyl]phenoxy}acetic acid
  参考文献：
  名称：

  Process for preparing isomerically pure prodrugs of proton pump inhibitors

  摘要：

  合成方法用于制备质子泵抑制剂的同分异构纯N-芳基磺酰衍生物，其中包括取代苯并咪唑核。这些合成方案和实验描述已经展示。

  公开号：

  US20050038076A1

文献信息

• Prodrugs of proton pump inhibitors
  申请人：——

  公开号：US20040102484A1

  公开（公告）日：2004-05-27

  Prodrugs of proton pump inhibitors of Formulas 1 through 4, 1 where the symbols are as defined in the specification, and the R group includes at least one acidic group or its pharmaceutically acceptable salt, have improved aqueous solubility and bioavailability.

  公式1到4的质子泵抑制剂前药，其中符号如规范中定义，R基包括至少一个酸性基团或其药学上可接受的盐，具有改善的水溶性和生物利用度。
• [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR<br/>[FR] PROMEDICAMENTS DES INHIBITEURS DE LA POMPE A PROTONS
  申请人：GARST MICHAEL E

  公开号：WO2004009583A3

  公开（公告）日：2004-03-18
• BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR
  申请人：Winston Pharmaceuticals LLC

  公开号：EP1556371B1

  公开（公告）日：2006-04-19
• Methods and compositions for the administration of prodrugs of proton pump inhibitors
  申请人：Hughes M. Patrick

  公开号：US20070060621A1

  公开（公告）日：2007-03-15

  Disclosed herein are methods, compositions, and dosage forms related to prodrugs of a proton pump inhibitors wherein said compositions and dosage forms do not comprise a salt of phosphoric acid. Principles related to the use of various anions and buffers in relation to these prodrugs are also disclosed.
• Method and compositions for the intravenous administration of compounds related to proton pump inhibitors
  申请人：Hughes M. Patrick

  公开号：US20070161679A1

  公开（公告）日：2007-07-12

  Disclosed herein are liquid compositions comprising a therapeutically effective concentration of a prodrug of a sulfonyl-containing proton pump inhibitor, wherein said compositions have a pH of from 3 to 7.3. Solid compositions related thereto are also disclosed. Methods of delivering a proton pump related thereto are also disclosed. Compositions comprising a second therapeutically active agent are also disclosed herein.