(S)-N,N-dimethyl-3-[4-(methylamidino)phenyl]-2-(2-naphthyl-sulfonylamino)propionamide | 184770-95-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-N,N-dimethyl-3-[4-(methylamidino)phenyl]-2-(2-naphthyl-sulfonylamino)propionamide
• 英文别名: (2S)-N,N-dimethyl-3-[4-(N'-methylcarbamimidoyl)phenyl]-2-(naphthalen-2-ylsulfonylamino)propanamide
• CAS: 184770-95-4
• 化学式: C₂₃H₂₆N₄O₃S
• 分子量: 438.55
• InChiKey: PYYKHFWAXSFSDQ-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Selective thrombin inhibitors
  申请人：LG Chemical Limited

  公开号：EP0739886A2

  公开（公告）日：1996-10-30

  The present invention relates to a novel selective thrombin inhibitor having the following formula (I), which is also effective by oral administration: in which R1represents acetyl substituted with aryl or aryloxy, or represents sulfonyl substituted with substituted or unsubstituted aryl or N-containing heterocyclic group, Xrepresents a group of formula R2 and R3independently of one another represent hydrogen; cycloalkyl substituted or unsubstituted with carboxyl or alkoxycarbonyl; arylalkyloxy; hydroxy; or lower alkyl substi tuted or unsubstituted with carboxyl, alkoxycarbonyl or hydroxy, or R2 and R3together with nitrogen atom to which they are attached can form a piperidine group substituted with carboxyl or alkoxycarbonyl, R4represents hydrogen, lower alkyl or lower alkoxy, R5represents alkanesulfonyl; alkoxycarbonyl; alkylcarbonyl; formyl; lower alkyl; aryl substituted or unsubstituted with alkoxy or haloalkyl; or hydroxy-substituted lower alkyl, and R6 and R7independently of one another represent hydrogen, lower alkyl or amino, and to a process for preparation thereof and a pharmaceutical composition for thrombin inhibition which comprises the compound of formula (I) as an active ingredient.

  本发明涉及一种新型选择性凝血酶抑制剂，具有下式(I)，口服有效： 其中 R1 代表被芳基或芳氧基取代的乙酰基，或代表被取代或未取代的芳基或含 N 的杂环基取代的磺酰基、 X代表式中的一个基团 R2 和 R3 各自代表氢；被羧基或烷氧基羰基取代或未取代的环烷基；芳烷氧基；羟基； 或被羧基、烷氧基羰基或羟基取代或未取代的低级烷基，或 R2 和 R3 与它们所连接的氮原子可形成一个被羧基或烷氧基羰基取代的哌啶基团、 R4 代表氢、低级烷基或低级烷氧基、 R5代表烷磺酰基；烷氧羰基；烷基羰基；甲酰基；低级烷基；被烷氧基或卤代烷基取代或未被取代的芳基；或被羟基取代的低级烷基、 且 R6 和 R7 各自代表氢、低级烷基或氨基、 及其制备方法和一种用于抑制凝血酶的药物组合物，该药物组合物包含作为活性成分的式(I)化合物。
• US5747535A
  申请人：——

  公开号：US5747535A

  公开（公告）日：1998-05-05
• US5977114A
  申请人：——

  公开号：US5977114A

  公开（公告）日：1999-11-02
• US5985899A
  申请人：——

  公开号：US5985899A

  公开（公告）日：1999-11-16
• [EN] SELECTIVE THROMBIN INHIBITORS<br/>[FR] INHIBITEURS SELECTIFS DE THROMBINE
  申请人：LG CHEMICAL LTD.

  公开号：WO1997049673A1

  公开（公告）日：1997-12-31

  (EN) The present invention relates to a novel selective thrombin inhibitor having formula (I), which is also effective by oral administration, in which R1 represents acetyl substituted with aryl or aryloxy, or represents sulfonyl substituted with substituted or unsubstituted aryl or N-containing heterocyclic group, X represents a group of formula (a) or (b), R2 and R3 independently of one another represent hydrogen; cycloalkyl substituted or unsubstituted with carboxyl or alkoxycarbonyl; arylalkyloxy; hydroxy; or lower alkyl substituted or unsubstituted with carboxyl, alkoxycarbonyl or hydroxy, or R2 and R3 together with nitrogen atom to which they are attached can form a piperidine group substituted with carboxyl or alkoxycarbonyl, R4 represents hydrogen, lower alkyl or lower alkoxy, R5 represents alkanesulfonyl; alkoxycarbonyl; alkylcarbonyl; formyl; lower alkyl; aryl substituted or unsubstituted with alkoxy or haloalkyl; or hydroxy-substituted lower alkyl, and R6 and R7 independently of one another represent hydrogen, lower alkyl or amino, and to a process for preparation thereof and a pharmaceutical composition for thrombin inhibition which comprises the compound of formula (I) as an active ingredient.(FR) Nouvel inhibiteur sélectif de thrombine de formule (I), également efficace lorsqu'il est administré oralement. Dans la formule (I), R1 représente acétyle à substitution aryle ou aryloxy, ou représente sulfonyle substitué par aryle ou par groupe hétérocyclique contenant N substitués ou non substitués, X représente un groupe de formule (a) ou (b), R2 et R3 indépendamment l'un de l'autre représentent hydrogène; cycloalkyle substitué ou non substitué par carboxyle ou alcoxycarbonyle; arylalkyloxy; hydroxy; ou alkyle inférieur substitué ou non substitué par carboxyle, alcoxycarbonyle ou hydroxy ou R2 et R3 avec l'atome d'azote auquel ils sont liés peut former un groupe pipéridine à substitution carboxyle ou alcoxycarbonyle, R4 représente hydrogène, alkyle inférieur ou alcoxy inférieur, R5 représente alcanesulfonyle; alcoxycarbonyle; alkylcarbonyle; formyle; alkyle inférieur; aryle substitué ou non substitué par alcoxy ou haloalkyle; ou alkyle inférieur à substitution hydroxy et R6 et R7 indépendamment l'un de l'autre représentent hydrogène, alkyle inférieur ou amino. La présente invention concerne également un procédé de préparation dudit inhibiteur et une composition pharmaceutique pour l'inhibition de la thrombine qui comporte le composé de formule (I) en tant qu'ingrédient actif.