2,4-dimethyl-3,9-dimethoxy-5H-pyrido<1',2':4,5><1,2,3>thiadiazino<2,3-a>benzimidazol-13-ium

• 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: 2,4-dimethyl-3,9-dimethoxy-5H-pyrido<1',2':4,5><1,2,3>thiadiazino<2,3-a>benzimidazol-13-ium
• 英文别名: 2,4-dimethyl-3,9-dimethoxy-5H-pyrido[1',2':4,5][1,2,3]thiadiazino[2,3-a]benzimidazol-13-ium；Omeprazole metabolite active sulfenamide；5,14-dimethoxy-4,6-dimethyl-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaene
• 化学式: C₁₇H₁₈N₃O₂S
• 分子量: 328.415
• InChiKey: ULDYIZLGTORGDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  奥美拉唑 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 2,4-dimethyl-3,9-dimethoxy-5H-pyrido<1',2':4,5><1,2,3>thiadiazino<2,3-a>benzimidazol-13-ium 、 2,4-dimethyl-3,10-dimethoxy-5H-pyrido<1',2':4,5><1,2,3>thiadiazino<2,3-a>benzimidazol-13-ium
  参考文献：
  名称：

  The mechanism of action of the antisecretory agent omeprazole

  摘要：

  DOI：

  10.1021/jm00158a001

文献信息

• Sulphenamides, processes for their preparation and their use in the manufacture of pharmaceutical preparations
  申请人：Aktiebolaget Hässle

  公开号：EP0171372B1

  公开（公告）日：1988-10-05
• ISOTOPICALLY LABELED TRAPPING AGENT AND METHOD FOR IDENTIFYING REACTIVE METABOLITES
  申请人：Janssen Pharmaceutica NV

  公开号：EP2078033B1

  公开（公告）日：2011-03-09
• Small Molecule Inhibitors Of P-type ATPases
  申请人：Matsui Mary

  公开号：US20130231372A1

  公开（公告）日：2013-09-05

  Small, low molecular weight compounds of the formula I and/or the formula II, as defined herein, which inhibit Cu-ATPases, ATP7A and ATP7B. Compositions and methods therefore, are provided.
• Small Molecule Inhibitors of P-type ATPases
  申请人：Matsui Mary S.

  公开号：US20140163073A1

  公开（公告）日：2014-06-12

  Small, low molecular weight compounds of the formula I and/or the formula II, as defined herein, which inhibit Cu-ATPases, ATP7A and ATP7B. Compositions and methods therefore, are provided.
• PYRIDONE DERIVATIVES AS ACID SECRETION INHIBITORS AND PROCESS FOR PREPARATION THEREOF
  申请人：Emcure Pharmaceuticals Limited

  公开号：US20160355529A1

  公开（公告）日：2016-12-08

  The present invention relates to the preparation of stable pyridone disulphide derivatives having general formula (I) and its stereoisomers, which are useful in the treatment of gastrointestinal disorders. Pyridone disulphide derivatives (I) wherein, R 1 , R 2 and R 3 are independently alkyl, alkoxy, halogen, halogenated alkoxy, halogenated alkyl, hydrogen and could be the same or different and X is CH or N. R 1 is methyl, methoxy, fluorine, trifluoromethyl, difluoromethoxy and hydrogen, R 2 is methyl, methoxy and hydrogen, and R 3 is methyl and hydrogen.