3-[[2-[(1H-苯并咪唑-2-亚磺酰基)甲基]-3-甲基-4-吡啶]氧基]-1-丙醇 | 117976-94-0

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 3-[[2-[(1H-苯并咪唑-2-亚磺酰基)甲基]-3-甲基-4-吡啶]氧基]-1-丙醇
• 中文别名: 外消旋-O-去甲基雷贝拉唑杂质
• 英文名称: demethylrabeprazole
• 英文别名: 2-[[[4-(3-hydroxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazol；LY 307640 desmethyl；2-[{4-(3-hydroxypropoxy)-3-methylpyridine-2-yl}methylsulfinyl]-1H-benzimidazole；1-Propanol, 3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-；3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methylpyridin-4-yl]oxypropan-1-ol
• CAS: 117976-94-0
• 化学式: C₁₇H₁₉N₃O₃S
• 分子量: 345.422
• InChiKey: OBQCUJTXRBUDMO-UHFFFAOYSA-N

物化性质

• 沸点：
  635.0±65.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-{[4-(3-羟基丙氧基)-3-甲基吡啶-2-基]甲硫基}-1H-苯并咪唑 在 碳酸氢钠 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-[[2-[(1H-苯并咪唑-2-亚磺酰基)甲基]-3-甲基-4-吡啶]氧基]-1-丙醇
  参考文献：
  名称：

  Pyridine derivatives having anti-ulcerative activity

  摘要：

  可用于预防或治疗消化性溃疡的吡啶衍生物、药物制剂及治疗消化性溃疡的方法。

  公开号：

  US05045552A1

文献信息

• Method for oxidizing a thioether group into a sulfoxide group
  申请人：——

  公开号：US20030028030A1

  公开（公告）日：2003-02-06

  The present invention relates to a procedure for the oxidation of a thioether group to a sulfoxide group, with aqueous sodium percarbonate in the presence of a molybdenum salt as a catalyst. The procedure is of application to oxidize the thioether group of a compound (I), where R 1 is a C 1 -C 6 alkyl, a halogenated C 1 -C 6 alkyl, or —(CH 2 ) n —OR 9 , where n is an integer between 1 and 6 and R 9 is H or a C 1 -C 6 alkyl; R 2 , R 3 , R 4 , R 5 , R 6 and R 8 , independently form each other represent H, a C 1 -C 6 alkyl, or C 1 -C 6 alkoxy; and R 7 is H, a C 1 -C 6 alkyl, a C 1 -C 6 alkoxy or a C 1 -C 6 fluorinated alkoxy, in order to obtain the sulfinyl derivative (II). 1

  本发明涉及一种使用水合过氧化钠和钼盐催化剂对硫醚基氧化为亚砜基的方法。该方法适用于氧化化合物(I)的硫醚基，其中R1是C1-C6烷基、卤代C1-C6烷基或—(CH2)n—OR9，其中n为1至6的整数，R9为H或C1-C6烷基；R2、R3、R4、R5、R6和R8独立地表示H、C1-C6烷基或C1-C6烷氧基；R7为H、C1-C6烷基、C1-C6烷氧基或C1-C6氟代烷氧基，以获得亚砜衍生物(II)。
• Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same
  申请人：Eisai Co., Ltd.

  公开号：EP0786461A1

  公开（公告）日：1997-07-30

  The invention provides pyridine derivatives represented by the general formula: wherein R1 and R2 may be the same or different from each other and each stand for a hydrogen atom, a C1-6 alkyl, C1-6 alkoxy, halogenated C1-6 alkyl, (C1-6 alkoxy) carbonyl or carboxyl group or a halogen atom; X stands for a group represented by the formula: -O-, -S-or (wherein R3 stands for a hydrogen atom or a C1-6 alkyl, phenyl, benzyl or (C1-6 alkoxy)carbonyl group); Z stands for ① a group represented by the general formula:         -0-(CH2)q-R5 wherein q stands for an integer of 1 to 3 and R5 stands for a halogen atom or an (C1-6 alkoxy) carbonyl, aryl or heteroaryl group, ② a group represented by the general formula:         -0-(CH2)r-0-(CH2)s-0-R6 wherein r and s each stand for an integer of 1 to 5 and R6 stands for a hydrogen atom or a C1-6 alkyl group, ③ a group represented by the formula: ④ a group represented by the general formula: wherein t stands for an integer of 0 to 2 and A stands for a group represented by the general formula: (wherein B stands for a group represented by the formula: -NH-, -0- or -S-), a C1-6 aklyl, (C1-6 alkoxy)carbonylmethyl, pyridyl or furyl group or a group represented by the general formula: (wherein R7 stands for a hydrogen atom, a C1-6 alkyl or C1-6 alkoxy group or a halogen atom and w stands for an integer of 0 or 1), ⑤ a group represented by the general formula: wherein R8 stands for an acetoxy or C1-6 alkyl group, n stands for an integer of 0 to 2, m stands for an integer of 2 to 10, and J and K may be the same or different from each other and each stand for a hydrogen atom or a C1-6 alkyl group, and a pharmaceutically acceptable salt thereof. Pharmaceutical compositions comprising these derivatives are also provided, together with the use of the derivatives for the manufacture of medicaments having therapeutic or preventative value in the treatment of peptic ulcers. Processes for preparing such pyridine derivatives are also provided.

  本发明提供了由一般式表示的吡啶衍生物：其中R1和R2可以相同或不同，分别代表氢原子，C1-6烷基，C1-6烷氧基，卤代C1-6烷基，(C1-6烷氧基)羰基或羧基或卤原子；X代表由公式表示的基团：-O-，-S-或（其中R3代表氢原子或C1-6烷基，苯基，苄基或（C1-6烷氧基）羰基）；Z代表①由一般式表示的基团：-0-（CH2）q-R5，其中q为1至3的整数，R5为卤原子或（C1-6烷氧基）羰基，芳基或杂芳基基团，②由一般式表示的基团：-0-（CH2）r-0-（CH2）s-0-R6，其中r和s分别为1至5的整数，R6为氢原子或C1-6烷基基团，③由公式表示的基团：④由一般式表示的基团：其中t为0至2的整数，A代表由一般式表示的基团：（其中B代表- NH-，-0-或-S-表示的基团），C1-6烷基，（C1-6烷氧基）羰基甲基，吡啶基或呋喃基团或由一般式表示的基团：（其中R7代表氢原子，C1-6烷基或C1-6烷氧基基团或卤原子，w代表0或1），⑤由一般式表示的基团：其中R8代表乙酰氧基或C1-6烷基基团，n为0至2的整数，m为2至10的整数，J和K可以相同或不同，分别代表氢原子或C1-6烷基基团，并且其药学上可接受的盐。还提供了包含这些衍生物的制药组合物，以及这些衍生物在制造具有治疗或预防胃溃疡价值的药物方面的用途。还提供了制备这种吡啶衍生物的方法。
• Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same
  申请人：Eisai Co., Ltd.

  公开号：EP0654471A1

  公开（公告）日：1995-05-24

  The invention provides pyridine derivatives represented by general formula: wherein R¹ and R² may be the same or different from each other and each stand for a hydrogen atom, a C₁₋₆ alkyl, C₁₋₆ alkoxy, halogenated C₁₋₆ alkyl, (C₁₋₆ alkoxy)carbonyl or carboxyl group or a halogen atom; X stands for a group represented by the formula: -O-, -S- or (wherein R³ stands for a hydrogen atom or a C₁₋₆ alkyl, phenyl, benzyl or (C₁₋₆ alkoxy)carbonyl group); Z stands for ① a group represented by the general formula:         -O-(CH₂)q-R⁵ wherein q stands for an integer of 1 to 3 and R⁵ stands for a naphthyl group, which may be substituted with a C₁₋₆ alkoxy group, a hydroxyl group or a halogen atom; a pyridyl group or a furyl group, ② a group represented by the general formula:         ―OR⁹    wherein OR⁹ stands for a phenyl, tolyl, xylyl or naphthyl group, n stands for an integer of 0 to 2; m stands for an integer of 2 to 10; and J and K may be the same or different from each other and each stand for a hydrogen atom or a C₁₋₆ alkyl group, and a pharmaceutically acceptable salt thereof. Pharmaceutical compositions comprising these derivatives are also provided, together with the use of the derivatives for the manufacture of medicaments having therapeutic or preventative value in the treatment of peptic ulcers. Processes for preparing such pyridine derivatives are also provided.

  本发明提供由通式表示的吡啶衍生物： 其中 R¹ 和 R² 可以相同或互不相同，各自代表氢原子、C₁₋₆ 烷基、C₁₋₆ 烷氧基、卤代 C₁₋₆ 烷基、(C₁₋₆ 烷氧基)羰基或羧基或卤原子； X 代表由式表示的基团： -O-、-S- 或 (其中 R³ 代表氢原子或 C₁₋₆ 烷基、苯基、苄基或 (C₁₋₆ 烷氧基)羰基）； Z 代表 由通式表示的基团： -O-(CH₂)q-R⁵ 其中 q 代表 1 至 3 的整数，R⁵ 代表萘基，可被 C₁₋₆烷氧基、羟基或卤素原子、吡啶基或呋喃基取代、 由通式表示的基团： -由通式表示的基团 其中 OR𠞙 代表苯基、甲苯基、二甲苯基或萘基、 n 代表 0 至 2 的整数；m 代表 2 至 10 的整数；以及 J 和 K 可以相同或不同，各自代表一个氢原子或一个 C₁₋₆ 烷基、 及其药学上可接受的盐。 此外，还提供了包含这些衍生物的药物组合物，以及这些衍生物在制造具有治疗或预防消化性溃疡价值的药物时的用途。还提供了制备此类吡啶衍生物的工艺。
• METHOD FOR OXIDIZING A THIOETHER GROUP INTO A SULFOXIDE GROUP
  申请人：ESTEVE QUIMICA, S.A.

  公开号：EP1270555A1

  公开（公告）日：2003-01-02

  The present invention relates to a procedure for the oxidation of a thioether group to a sulfoxide group, with aqueous sodium percarbonate in the presence of a molybdenum salt as a catalyst. The procedure is of application to oxidize the thioether group of a compound (I), where R1 is a C1-C6 alkyl, a halogenated C1-C6 alkyl, or -(CH2)n-OR9, where n is an integer between 1 and 6 and R9 is H or a C1-C6 alkyl; R2, R3, R4, R5, R6 and R8, independently form each other represent H, a C1-C6 alkyl, or C1-C6 alkoxy; and R7 is H, a C1-C6 alkyl, a C1-C6 alkoxy or a C1-C6 fluorinated alkoxy, in order to obtain the sulfinyl derivative (II).

  本发明涉及一种在钼盐作为催化剂存在下，用过碳酸钠水溶液将硫醚基氧化成亚砜基的程序。该步骤适用于氧化化合物 (I) 的硫醚基，其中 R1 是 C1-C6 烷基、卤代 C1-C6 烷基或-(CH2)n-OR9，其中 n 是 1 到 6 之间的整数，R9 是 H 或 C1-C6 烷基；R2、R3、R4、R5、R6 和 R8 相互独立地代表 H、C1-C6 烷基或 C1-C6 烷氧基；R7 是 H、C1-C6 烷基、C1-C6 烷氧基或 C1-C6 氟化烷氧基，从而得到亚磺酰基衍生物 (II)。
• PHARMACEUTICAL PREPARATION TO BE DISPERSED BEFORE ADMINISTRATION
  申请人：UKAI Koji

  公开号：US20100009003A1

  公开（公告）日：2010-01-14

  The present invention provides a pharmaceutical preparation to be dispersed before administration which has an adequate viscosity and a suitable flowability even when dispersed in a small amount of water and can be easily administered through an NG tube is provided. Specifically, the pharmaceutical preparation to be dispersed before administration contains active granules containing a pharmaceutically active substance having an average particle diameter of 5 mm or less and a thickening agent, and can be administered through an NG tube by dispersing in water before administration.