(4-(3,4-difluoro-2-(trifluoromethyl)phenyl)piperidin-1-yl)(5-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (4-(3,4-difluoro-2-(trifluoromethyl)phenyl)piperidin-1-yl)(5-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)methanone
• 英文别名: [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone
• 化学式: C₂₀H₂₁F₅N₄O
• 分子量: 428.405
• InChiKey: YOWKPWSHXYIUJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.2
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  tert-butyl 4-(3,4-difluoro-2-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate 在 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、206.85 kPa 条件下， 反应 107.0h， 生成 (4-(3,4-difluoro-2-(trifluoromethyl)phenyl)piperidin-1-yl)(5-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)methanone
  参考文献：
  名称：

  [EN] SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARAITON AND USE
  [FR] 4-PHÉNYLEPIPÉRIDINES SUBSTITUÉES, LEUR PRÉPARATION ET UTILISATION

  摘要：

  公开号：

  WO2015168286A8

文献信息

• SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE
  申请人：PETRUKHIN Konstantin

  公开号：US20150315197A1

  公开（公告）日：2015-11-05

  The present invention provides a compound having the structure: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are each independently H, halogen, CF 3 or C 1 -C 4 alkyl, wherein two or more of R 1 , R 2 , R 3 , R 4 , or R 5 are other than H; R 6 is H, OH, or halogen; and B is a substituted or unsubstituted heterobicycle, wherein when R 1 is CF 3 , R 2 is H, R 3 is F, R 4 is H, and R 5 is H, or R 1 is H, R 2 is CF 3 , R 3 is H, R 4 is CF 3 , and R 5 is H, or R 1 is Cl, R 2 is H, R 3 is H, R 4 is F, and R 5 is H, or R 1 is CF 3 , R 2 is H, R 3 is F, R 4 is H, and R 5 is H, or R 1 is CF 3 , R 2 is F, R 3 is H, R 4 is H, and R 5 is H, or R 1 is Cl, R 2 is F, R 3 is H, R 4 is H, and R 5 is H, then B is other than or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有以下结构的化合物：其中R1、R2、R3、R4和R5各自独立地为H、卤素、CF3或C1-C4烷基，其中R1、R2、R3、R4或R5中的两个或更多个不是H；R6为H、OH或卤素；B为取代或未取代的杂环，其中当R1为CF3、R2为H、R3为F、R4为H和R5为H，或者R1为H、R2为CF3、R3为H、R4为CF3和R5为H，或者R1为Cl、R2为H、R3为H、R4为F和R5为H，或者R1为CF3、R2为H、R3为F、R4为H和R5为H，或者R1为CF3、R2为F、R3为H、R4为H和R5为H，或者R1为Cl、R2为F、R3为H、R4为H和R5为H时，则B不是或其药学上可接受的盐。
• Substituted 4-phenylpiperidines, their preparation and use
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US10072016B2

  公开（公告）日：2018-09-11

  The present invention provides a compound having the structure: wherein R1, R2, R3, R4, and R5 are each independently H, halogen, CF3 or C1-C4 alkyl, wherein two or more of R1, R2, R3, R4, or R5 are other than H; R6 is H, OH, or halogen; and B is a substituted or unsubstituted heterobicycle, wherein when R1 is CF3, R2 is H, R3 is F, R4 is H, and R5 is H, or R1 is H, R2 is CF3, R3 is H, R4 is CF3, and R5 is H, or R1 is Cl, R2 is H, R3 is H, R4 is F, and R5 is H, or R1 is CF3, R2 is H, R3 is F, R4 is H, and R5 is H, or R1 is CF3, R2 is F, R3 is H, R4 is H, and R5 is H, or R1 is Cl, R2 is F, R3 is H, R4 is H, and R5 is H, then B is other than or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有以下结构的化合物： 其中 R1、R2、R3、R4 和 R5 各自独立地为 H、卤素、CF3 或 C1-C4 烷基、 其中 R1、R2、R3、R4 或 R5 中的两个或两个以上不是 H； R6 是 H、OH 或卤素；以及 B 是取代或未取代的杂环、 其中，当 R1 是 CF3、R2 是 H、R3 是 F、R4 是 H 和 R5 是 H 时，或 R1 是 H、R2 是 CF3、R3 是 H、R4 是 CF3 和 R5 是 H 时，或 R1 是 Cl、R2 是 H、R3 是 H、R4 是 F 和 R5 是 H、或 R1 是 CF3，R2 是 H，R3 是 F，R4 是 H，R5 是 H，或 R1 是 CF3，R2 是 F，R3 是 H，R4 是 H，R5 是 H，或 R1 是 Cl，R2 是 F，R3 是 H，R4 是 H，R5 是 H，则 B 不属于以下情况 或其药学上可接受的盐。
• Methods of treating metabolic diseases with fused bicyclic pyrazoles
  申请人：BELITE BIO, INC

  公开号：US11389444B2

  公开（公告）日：2022-07-19

  Provided herein are heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds that are useful for the treatment of retinal binding protein (RBP4) related diseases, such as obesity and the like.

  本文提供了可用于治疗视网膜结合蛋白（RBP4）相关疾病（如肥胖症等）的杂环衍生物化合物和包含上述化合物的药物组合物。
• FORMULATIONS OF RBP4 INHIBITORS AND METHODS OF USE
  申请人：Belite Bio, LLC

  公开号：EP3996714A1

  公开（公告）日：2022-05-18
• METHODS OF TREATING METABOLIC DISEASES WITH FUSED BICYCLIC PYRAZOLES
  申请人：BELITE BIO, INC

  公开号：US20200197390A1

  公开（公告）日：2020-06-25

  Provided herein are heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds that are useful for the treatment of retinal binding protein (RBP4) related diseases, such as obesity and the like.