2-(3-Methylsulphinyl-4-methoxyphenyl)-1H-imidazo[4,5-c]pyridine | 87359-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3-Methylsulphinyl-4-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
• 英文别名: 2-[3-(Methanesulfinyl)-4-methoxyphenyl]-3H-imidazo[4,5-c]pyridine；2-(4-methoxy-3-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
• CAS: 87359-51-1
• 化学式: C₁₄H₁₃N₃O₂S
• 分子量: 287.342
• InChiKey: DKXDRVMKNFUAMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  87.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(3-Methylthio-4-methoxyphenyl)-1H-imidazo-[4,5-c]pyridine dihydrochloride 、 双氧水 以The title compound was obtained as a white solid, m.p. 227°-229° C.的产率得到2-(3-Methylsulphinyl-4-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
  参考文献：
  名称：

  Bicycle compounds, processes for their preparation and pharmaceutical

  摘要：

  化学式(I')的化合物和含有它们的组合物：##STR1## 其中n为1、2或3，每个R.sub.1独立地表示卤素原子；羟基、羧基或C.sub.1-4烷基基团、C.sub.2-4烯烃氧基、苯基或苯基-C.sub.1-4烷氧基团，它们可以被一个或多个卤素原子选择性替代；氨基、单烷基或双烷基氨基、吗啉基或哌嗪基；式--S(O).sub.xR.sub.a的基团，其中x为0、1或2，R.sub.a为C.sub.1-4烷基基团；或C.sub.1-4烷氧基，它可以被一个或多个从羟基、C.sub.1-4烷氧基、氨基、单烷基或双烷基氨基、(苯基-C.sub.1-4烷基)氨基、N,N-C.sub.1-4烷基(苯基-C.sub.1-4烷基)氨基和N,N-(C.sub.1-4烷氧基苯基-C.sub.1-4烷基)C.sub.1-4烷基氨基中选择的一个或多个基团选择性替代；n为1、2或3；m为0或1；R.sub.2表示在咪唑环的1-或3-位置的C.sub.1-4烷基基团；R.sub.3表示氢或卤素（氟、氯、溴或碘）原子，或羟基、氨基或C.sub.1-4烷基或烷氧基团；以及这些化合物和盐的生理上可接受的酸加成物和N-氧化物。式(I')包括可选异构体形式。这些化合物和组合物在治疗人体或动物体内的疗法中有用，特别是用于治疗或预防心力衰竭和心肌不足。

  公开号：

  US04603139A1

文献信息

• New imidazo[4,5-c]pyridine derivatives, processes for their preparation and pharmaceutical formulations containing such compounds
  申请人：MERCK PATENT GmbH

  公开号：EP0079083A1

  公开（公告）日：1983-05-18

  Compounds of formula (I'), and compositions containing them: (wherein n is 1, 2 or 3, each R1 independently represents a halogen atom; a hydroxy, carboxyl or C1-4 alkyl group, a C2-4 alkenyloxy, phenyl or phenyl-C1-4 alkoxy group which may be optionally substituted by one or more halogen atoms; an .amino, mono- or dialkyl-amino, morpholino or piperazino group; a group of formula -S(O)xRa where x is 0, 1 or 2 and Ra is a C1-4 alkyl group; or a C1-4 alkoxy group which may be optionally substituted by one or more radicals selected from hydroxy, C1-4 alkoxy, amino, mono- or di- C1-4 alkylamino, (phenyl- C1-4 alkyl)amino, N,N-C1-4alkyl(phenyl-C1-4alkyl)-amino and N,N-(C1-4alkoxyphenyl-C1-4alkyl)C1-4 alkyl-amino; n is 1, 2 or 3; m is 0 or 1; R2 represents a C1-4 alkyl group in the 1- or 3-position of the imidazo ring; R3 represents a hydrogen or halogen (fluorine, chlorine, bromine or iodine) atom, or a hydroxy, amino or C1-4 alkyl or alkoxy group; and physiologically acceptable acid addition salts thereof and N-oxides of such compounds and salts. Formula (1') includes the alternative tautomeric form. The compounds and compositions are useful for treatment of the human or animal body by therapy, particularly for use in the treatment or prophylaxis of heart failure and myocardial insufficiency.

  式(I')化合物及含有它们的组合物： (其中 n 为 1、2 或 3，每个 R1 独立地代表卤素原子；羟基、羧基或 C1-4 烷基、C2-4 烯氧基、苯基或苯基-C1-4 烷氧基，可任选被一个或多个卤素原子取代；.氨基、单或二烷基氨基、吗啉基或哌嗪基；式 -S(O)xRa 的基团，其中 x 为 0、1 或 2，Ra 为 C1-4 烷基；或 C1-4 烷氧基，可任选被一个或多个基团取代，这些基团选自羟基、C1-4 烷氧基、氨基、单-或二-C1-4 烷基氨基、（苯基-C1-4 烷基）氨基、N,N-C1-4 烷基（苯基-C1-4 烷基）氨基和 N,N-（C1-4 烷氧基苯基-C1-4 烷基）C1-4 烷基氨基；n 为 1、2 或 3；m 为 0 或 1； R2 代表咪唑环 1 位或 3 位上的 C1-4 烷基； R3 代表氢原子或卤素（氟、氯、溴或碘）原子，或羟基、氨基或 C1-4 烷基或 烷氧基；及其生理上可接受的酸加成盐和此类化合物和盐的 N-氧化物。式（1'）包括另一种同分异构形式。这些化合物和组合物可用于人体或动物机体的治疗，特别是用于治疗或预防心力衰竭和心肌功能不全。
• US4603139A
  申请人：——

  公开号：US4603139A

  公开（公告）日：1986-07-29
• Bicycle compounds, processes for their preparation and pharmaceutical
  申请人：Burroughs Wellcome Co.

  公开号：US04603139A1

  公开（公告）日：1986-07-29

  Compounds of formula (I'), and compositions containing them: ##STR1## wherein n is 1, 2 or 3, each R.sub.1 independently represents a halogen atom; a hydroxy, carboxyl or C.sub.1-4 alkyl group, a C.sub.2-4 alkenyloxy, phenyl or phenyl-C.sub.1-4 alkoxy group which may be optionally substituted by one or more halogen atoms; an amino, mono- or dialkyl-amino, morpholino or piperazino group; a group of formula --S(O).sub.x R.sub.a where x is 0, 1 or 2 and R.sub.a is a C.sub.1-4 alkyl group; or a C.sub.1-4 alkoxy group which may be optionally substituted by one or more radicals selected from hydroxy, C.sub.1-4 alkoxy, amino, mono- or di-C.sub.1-4 alkylamino, (phenyl-C.sub.1-4 alkyl)amino, N,N-C.sub.1-4 alkyl(phenyl-C.sub.1-4 alkyl)amino and N,N-(C.sub.1-4 alkoxyphenyl-C.sub.1-4 alkyl)C.sub.1-4 alkyl-amino; n is 1, 2 or 3; m is 0 or 1; R.sub.2 represents a C.sub.1-4 alkyl group in the 1- or 3-position of the imidazo ring; R.sub.3 represents a hydrogen or halogen (fluorine, chlorine, bromine or iodine) atom, or a hydroxy, amino or C.sub.1-4 alkyl or alkoxy group; and physiologically acceptable acid addition salts thereof and N-oxides of such compounds and salts. Formula (I') includes the alternative tautomeric form. The compounds and compositions are useful for treatment of the human or animal body by therapy, particularly for use in the treatment or prophylaxis of heart failure and myocardial insufficiency.

  化学式(I')的化合物和含有它们的组合物：##STR1## 其中n为1、2或3，每个R.sub.1独立地表示卤素原子；羟基、羧基或C.sub.1-4烷基基团、C.sub.2-4烯烃氧基、苯基或苯基-C.sub.1-4烷氧基团，它们可以被一个或多个卤素原子选择性替代；氨基、单烷基或双烷基氨基、吗啉基或哌嗪基；式--S(O).sub.xR.sub.a的基团，其中x为0、1或2，R.sub.a为C.sub.1-4烷基基团；或C.sub.1-4烷氧基，它可以被一个或多个从羟基、C.sub.1-4烷氧基、氨基、单烷基或双烷基氨基、(苯基-C.sub.1-4烷基)氨基、N,N-C.sub.1-4烷基(苯基-C.sub.1-4烷基)氨基和N,N-(C.sub.1-4烷氧基苯基-C.sub.1-4烷基)C.sub.1-4烷基氨基中选择的一个或多个基团选择性替代；n为1、2或3；m为0或1；R.sub.2表示在咪唑环的1-或3-位置的C.sub.1-4烷基基团；R.sub.3表示氢或卤素（氟、氯、溴或碘）原子，或羟基、氨基或C.sub.1-4烷基或烷氧基团；以及这些化合物和盐的生理上可接受的酸加成物和N-氧化物。式(I')包括可选异构体形式。这些化合物和组合物在治疗人体或动物体内的疗法中有用，特别是用于治疗或预防心力衰竭和心肌不足。