[2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazol-1-yl]methanol | 412279-65-3

• 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-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazol-1-yl]methanol
• 英文别名: [2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-pyridin-2-yl]methyl]sulfinyl]-1H-benzimidazol-1-yl]methanol；[2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazol-1-yl]methanol；[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazol-1-yl]methanol
• CAS: 412279-65-3
• 化学式: C₁₇H₁₆F₃N₃O₃S
• 分子量: 399.394
• InChiKey: ZJBHNBVJWHQQFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  96.4
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazol-1-yl]methanol 、 氯甲酸丁酯 生成 butyl [(R)-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazol-1-yl]methyl carbonate
  参考文献：
  名称：

  EP1334971

  摘要：

  公开号：
• 作为产物：
  描述：

  兰索拉唑 在 4-二甲氨基吡啶 、 聚合甲醛 作用下， 以 二氯甲烷 为溶剂， 生成 [2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazol-1-yl]methanol
  参考文献：
  名称：

  EP1334971

  摘要：

  公开号：

文献信息

• Benzimidazole compounds, process for producing the same and use thereof
  申请人：——

  公开号：US20040039027A1

  公开（公告）日：2004-02-26

  A compound represented by the formula (I) 1 wherein each symbol is as defined in the specification, or a salt thereof (1) shows a superior anti-ulcer activity, a gastric acid secretion-suppressive action, a mucosa-protecting action, an anti- Helicobacter pylori action and the like in living organisms, (2) shows low toxicity, (3) is stable to acid (which obviates the need to formulate an enteric-coated preparation, thereby lowering the cost, and reduces the size of preparation to facilitate swallowing for patients having difficulty in swallowing), (4) shows faster absorption than enteric-coated preparations (rapid expression of gastric acid secretion-suppressive action), and (5) is sustainable. According to the present invention, a benzimidazole compound, which has superior stability to acid and which is converted to a proton pump inhibitor in living organisms to show an anti-ulcer activity and the like, can be provided.

  化合物式（I）所表示的化合物，其中每个符号如规范中所定义，或其盐（1）在生物体中表现出优越的抗溃疡活性，抑制胃酸分泌作用，保护粘膜作用，抗幽门螺杆菌作用等，（2）显示低毒性，（3）稳定耐酸（无需制备肠溶涂层制剂，从而降低成本，并减小制剂大小以便于吞咽难度较大的患者），（4）显示比肠溶涂层制剂更快的吸收（迅速表现出抑制胃酸分泌作用），（5）具有可持续性。根据本发明，可以提供一种苯并咪唑化合物，其对酸稳定性优越，并在生物体内转化为质子泵抑制剂以显示抗溃疡活性等。
• BENZIMIDAZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1334971A1

  公开（公告）日：2003-08-13

  A compound represented by the formula (I) wherein each symbol is as defined in the specification, or a salt thereof (1) shows a superior anti-ulcer activity, a gastric acid secretion-suppressive action, a mucosa-protecting action, an anti-Helicobacter pylori action and the like in living organisms, (2) shows low toxicity, (3) is stable to acid (which obviates the need to formulate an enteric-coated preparation, thereby lowering the cost, and reduces the size of preparation to facilitate swallowing for patients having difficulty in swallowing), (4) shows faster absorption than enteric-coated preparations (rapid expression of gastric acid secretion-suppressive action), and (5) is sustainable. According to the present invention, a benzimidazole compound, which has superior stability to acid and which is converted to a proton pump inhibitor in living organisms to show an anti-ulcer activity and the like, can be provided.

  由式(I)代表的化合物 其中各符号如说明书中所定义，或其盐 (1) 在生物体内显示出卓越的抗溃疡活性、胃酸分泌抑制作用、粘膜保护作用、抗幽门螺杆菌作用等；(2) 毒性低；(3) 对酸稳定（无需配制肠溶制剂、(4) 比肠溶制剂吸收更快（快速发挥抑制胃酸分泌的作用），以及 (5) 具有可持续性。 根据本发明，可以提供一种苯并咪唑化合物，该化合物对酸具有超强的稳定性，在生物体内可转化为质子泵抑制剂，从而显示出抗溃疡等活性。
• Crystalline solvated forms of (R)-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2292612A2

  公开（公告）日：2011-03-09

  The novel hydrate, methanol solvate, ethanol solvate, ethanol' hydrate and isopropanol -hydrate crystals of [R) -2- [[[3- methyl-4- (2, 2, 2-trif luoroethoxy) -2-pyridinyl] methyl] sulfinyl] - 1H-benzimidazole of the present invention are useful as excellent antiulcer agents.

  本发明的[R)-2-[[[3-甲基-4-（2, 2, 2-三氟乙氧基）-2-吡啶基]甲基]亚磺酰基]-1H-苯并咪唑的新型水合物、甲醇溶物、乙醇溶物、乙醇'水合物和异丙醇-水合物晶体是非常有用的抗溃疡剂。
• CRYSTALLINE SOLVATED FORMS OF (R)-2-[[[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL]METHYL]SULFINYL]-1H-BENZIMIDAZOLE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2573082A1

  公开（公告）日：2013-03-27

  The novel methanol solvate, ethanol solvate, ethanol·hydrate and isopropanol·hydrate crystals of (R)-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole; pharmaceutical agents which comprise these crystals; and their use for the prophylaxis or treatment of digestive ulcer.

  (R)-2-[[[3-甲基-4-(2,2,2-三氟乙氧基)-2-吡啶基]甲基]亚磺酰基]-1H-苯并咪唑的新型甲醇溶物、乙醇溶物、乙醇水合物和异丙醇水合物晶体；包含这些晶体的药剂；以及它们在预防或治疗消化道溃疡方面的用途。
• CRYSTALLINE SOLVATED FORMS OF (R) -2- [[[3-METHYL-4- (2, 2, 2-TRIFLUOROETHOXY) -2-PYRIDINYL]METHYL]SULFINYL]-1H-BENZ IMIDAZOLE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2227462A1

  公开（公告）日：2010-09-15