N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide | 1253226-36-6

• 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: N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
• CAS: 1253226-36-6
• 化学式: C₁₂H₁₃F₃N₂O₂
• 分子量: 274.243
• InChiKey: APZADRGIMOBUHU-UHFFFAOYSA-N

物化性质

• 沸点：
  390.8±42.0 °C(Predicted)
• 密度：
  1.346±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide 在 palladium on activated charcoal 、 氢气 、 potassium carbonate 、 一水合肼 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  화합물 및 염증성 질환 치료용 약학적 조성물

  摘要：

  This is a patent related to pharmaceutical compositions for the treatment of inflammatory diseases, characterized by compounds represented by the chemical formula I, their pharmaceutically acceptable salts, hydrates, or solvates. According to the invention, compounds that interact with and inhibit the 5-LOX pathway, particularly compounds with inhibitory effects on arachidonate 5-lipoxygenase, can be provided.

  公开号：

  KR101480674B1
• 作为产物：
  描述：

  1-BOC-吡咯烷-3-甲酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
  参考文献：
  名称：

  화합물 및 염증성 질환 치료용 약학적 조성물

  摘要：

  This is a patent related to pharmaceutical compositions for the treatment of inflammatory diseases, characterized by compounds represented by the chemical formula I, their pharmaceutically acceptable salts, hydrates, or solvates. According to the invention, compounds that interact with and inhibit the 5-LOX pathway, particularly compounds with inhibitory effects on arachidonate 5-lipoxygenase, can be provided.

  公开号：

  KR101480674B1

文献信息

• [EN] 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS<br/>[FR] DÉRIVÉS 2-AMINO-BENZIMIDAZOLE ET LEUR UTILISATION COMME INHIBITEURS DE 5-LIPOXYGÉNASE ET/OU DE PROSTAGLANDINE E SYNTHASE
  申请人：PASTEUR INSTITUT KOREA

  公开号：WO2016016421A1

  公开（公告）日：2016-02-04

  The present invention relates to benzimidazole derivatives having the general formula I, wherein n is 0 or 1; X1 and X2 are independently, at each occurrence, CR5 or N; Y is C1-C6 alkylene, wherein alkylene is optionally substituted with one to two C1-C3 alkyl groups; R1 is selected from the group consisting of hydrogen, halogen, C1-C6 alkoxy, -NH2, -NHR6, -NR7R8 and -NH-(R9)n-R10, n being 0 or 1; R2 is selected from the group consisting of hydrogen, halogen, C1-C6 alkyl, -NH2, -NHR6, - NR7R8 and -NH-(R9)n-R10; R3 is selected from the group consisting of hydrogen, hydroxyl, OR11, -NR7R8, C1-C6 alkoxy, C1-C6 alkyl, C3-C10 cycloalkyl, C1-C3 haloalkyl, -C(O)NHR11, aryl, heteroaryl and heterocyclyl, wherein each of said cycloalkyl, aryl, heteroaryl and heterocyclyl is optionally and independently substituted with one to four Ra groups; and R4 is selected from the group consisting of -NH2, -N(R12)(V)pR13, - NH(V)p-OR14, -NHC(O)R15, and groups of formula la shown below, and their use in the treatment of diseases, in particular inflammatory diseases, cancer, stroke and/or Alzheimer's disease.

  本发明涉及具有通式I的苯并咪唑衍生物，其中n为0或1；X1和X2在每次出现时独立地为CR5或N；Y为C1-C6烷基，其中烷基可以选择性地用一到两个C1-C3烷基取代；R1从氢、卤素、C1-C6烷氧基、-NH2、-NHR6、-NR7R8和-NH-(R9)n-R10的群中选择，其中n为0或1；R2从氢、卤素、C1-C6烷基、-NH2、-NHR6、-NR7R8和-NH-(R9)n-R10的群中选择；R3从氢、羟基、OR11、-NR7R8、C1-C6烷氧基、C1-C6烷基、C3-C10环烷基、C1-C3卤代烷基、-C(O)NHR11、芳基、杂芳基和杂环烷基的群中选择，其中所述的每个环烷基、芳基、杂芳基和杂环烷基可以选择性且独立地用一到四个Ra基取代；R4从-NH2、-N(R12)(V)pR13、-NH(V)p-OR14、-NHC(O)R15和下面所示的通式la的基中选择，并且它们在治疗疾病，特别是炎症性疾病、癌症、中风和/或阿尔茨海默病中的用途。
• 염증성 질환 치료용 약학적 조성물
  申请人：QURIENT CO., LTD. 주식회사 큐리언트(120100548086) Corp. No ▼ 110111-3926875BRN ▼209-81-47197

  公开号：KR101503647B1

  公开（公告）日：2015-03-18

  본 발명은 염증성 질환 치료용 약학적 조성물에 관한 것으로, 상기 화학식 I과 같이 표현된 화합물, 이의 약학적으로 허용가능한 염, 이의 수화물 또는 이의 용매화물인 것을 특징으로 한다.본 발명에 의하면, 5-LOX-경로와 상호작용 및 방해하는 화합물, 특히 아라키도네이트 5-리폭시게나아제에 대한 억제 효과를 갖는 약학적 조성물을 제공할 수 있다.

  This is the translation of the text you provided: This invention relates to a pharmaceutical composition for the treatment of inflammatory diseases, characterized by a compound represented by the chemical formula I, its pharmaceutically acceptable salts, hydrates, or solvates. According to the present invention, a pharmaceutical composition that interacts with and inhibits the 5-LOX pathway, particularly compounds with inhibitory effects on arachidonate 5-lipoxygenase, can be provided.
• 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS
  申请人：INSTITUT PASTEUR KOREA

  公开号：US20170166563A1

  公开（公告）日：2017-06-15

  The present invention relates to benzimidazole derivatives having the general formula I, wherein n is 0 or 1; X 1 and X 2 are independently, at each occurrence, CR 5 or N; Y is C 1 -C 6 alkylene, wherein alkylene is optionally substituted with one to two C 1 -C 3 alkyl groups; R 1 is selected from the group consisting of hydrogen, halogen, C 1 -C 6 alkoxy, —NH 2 , —NHR 6 , —NR 7 R 8 and —NH—(R 9 ) n —R 10 , n being 0 or 1; R 2 is selected from the group consisting of hydrogen, halogen, C 1 -C 6 alkyl, —NH 2 , —NHR 6 , —NR 7 R 8 and —NH—(R 9 ) n —R 10 ; R 3 is selected from the group consisting of hydrogen, hydroxyl, OR 11 , —NR 7 R 8 , C 1 -C 6 alkoxy, C 1 -C 6 alkyl, C 3 - C 10 cycloalkyl, C 1 -C 3 haloalkyl, —C(O)NHR 11 , aryl, heteroaryl and heterocyclyl, wherein each of said cycloalkyl, aryl, heteroaryl and heterocyclyl is optionally and independently substituted with one to four R a groups; and R 4 is selected from the group consisting of —NH 2 , —N(R 12 )(V) p R 13 , —NH(V) p —OR 14 , —NHC(O)R 15 , and groups of formula 1a shown below, and their use in the treatment of diseases, in particular inflammatory diseases, cancer, stroke and/or Alzheimer's disease.