2,2,2-trifluoro-1-piperidin-4-yl-ethanol | 743402-57-5

• 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: 2,2,2-trifluoro-1-piperidin-4-yl-ethanol
• 英文别名: 4-(1-Hydroxy-2,2,2-trifluoroethyl)piperidine；2,2,2-trifluoro-1-piperidin-4-ylethanol
• CAS: 743402-57-5
• 化学式: C₇H₁₂F₃NO
• mdl: MFCD17977194
• 分子量: 183.174
• InChiKey: AWHZGSFJGAXLAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoro-1-piperidin-4-yl-ethanol 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 17.0h， 生成
  参考文献：
  名称：

  Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors

  摘要：

  A series of pyrazolopyrimidine inhibitors of IRAK4 were developed from a high-throughput screen (HTS). Modification of an HTS hit led to a series of bicyclic heterocycles with improved potency and kinase selectivity but lacking sufficient solubility to progress in vivo. Structure-based drug design, informed by cocrystal structures with the protein and small-molecule crystal structures, yielded a series of dihydrobenzofurans. This semisaturated bicycle provided superior druglike properties while maintaining excellent potency and selectivity. Improved physicochemical properties allowed for progression into in vivo experiments, where lead molecules exhibited low clearance and showed target-based inhibition of IRAK4 signaling in an inflammation-mediated PK/PD mouse model.

  DOI：

  10.1021/acs.jmedchem.9b00439
• 作为产物：
  描述：

  4-甲酰基-N-CBZ 哌啶 在 palladium 10% on activated carbon 、 氢气 、 IAd 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 2,2,2-trifluoro-1-piperidin-4-yl-ethanol
  参考文献：
  名称：

  [EN] BENZODIOXANES FOR INHIBITING LEUKOTRIENE PRODUCTION
  [FR] BENZODIOXANNES POUR INHIBER LA PRODUCTION DE LEUCOTRIÈNES

  摘要：

  本发明涉及式（I）的化合物，其中R1至R3，A，X和n如本文所定义。式（I）的化合物可用作白三烯A4水解酶（LTA4H）的抑制剂，并用于治疗与LTA4H相关的疾病。本发明还涉及包含式（I）化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，以及制备这些化合物的方法。

  公开号：

  WO2013134226A1

文献信息

• BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY
  申请人：BYLOCK Lars Anders

  公开号：US20130236468A1

  公开（公告）日：2013-09-12

  The present invention relates to a combination comprising compounds of formula (I): wherein R 1 to R 3 , A, X and n are as defined herein, and an additional active agent. The present invention also relates to pharmaceutical compositions comprising these combinations, and methods of using these combinations to treat various diseases and disorders.

  本发明涉及一种组合物，包括式（I）的化合物： 其中R1至R3，A，X和n如本文所定义，并且另外包括一种活性剂。本发明还涉及包括这些组合物的药物组合物，以及使用这些组合物治疗各种疾病和疾病的方法。
• [EN] PYRAZOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION<br/>[FR] DÉRIVÉS DE PYRAZOLE INHIBANT LA PRODUCTION DE LEUCOTRIÈNE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014014874A1

  公开（公告）日：2014-01-23

  The present invention relates to compounds of formula (I): or a pharmaceutically acceptable salt thereof, wherein A1, A2, L1 and B are as defined herein. The compounds of formula (I) are useful as inhibitors of leukotriene A4 hydrolase (LTA4H) and treating LTA4H related disorders. The present invention also relates to pharmaceutical compositions comprising the compounds of formula (I), methods of using these compounds in the treatment of various diseases and disorders, and processes for preparing these compounds.

  本发明涉及以下式（I）的化合物或其药学上可接受的盐，其中A1、A2、L1和B如本文所定义。式（I）的化合物可用作白三烯A4水解酶（LTA4H）的抑制剂，并用于治疗与LTA4H相关的疾病。本发明还涉及包含式（I）的化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，以及制备这些化合物的方法。
• [EN] BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION<br/>[FR] INHIBITEURS BENZODIOXANES DE PRODUCTION DE LEUCOTRIÈNES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012125598A1

  公开（公告）日：2012-09-20

  The present invention relates to compounds of formula (I): wherein R1 to R3, A, X and n are as defined herein. The compounds of formula (I) are useful as inhibitors of leukotriene A4 hydrolase (LTA4H) and treating LTA4H related disorder. The present invention also relates to pharmaceutical compositions comprising the compounds of formula (I), methods of using these compounds in the treatment of various diseases and disorders, and processes for preparing these compounds.

  本发明涉及式(I)的化合物：其中R1至R3、A、X和n如本文所定义。式(I)的化合物可用作白三烯A4水解酶(LTA4H)的抑制剂，并用于治疗与LTA4H相关的疾病。本发明还涉及包含式(I)化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，以及制备这些化合物的方法。
• Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds
  申请人：Stenkamp Dirk

  公开号：US20050245529A1

  公开（公告）日：2005-11-03

  Alkyne compounds of formula I wherein A, B, W, X, Y, Z, R 1 , and R 2 have the meanings given herein, which have MCH-receptor antagonistic activity and are useful for preparing pharmaceutical compositions for the treatment of metabolic disorders and/or eating disorders, particularly obesity and diabetes.

  炔烃化合物的化学式I，其中A、B、W、X、Y、Z、R1和R2具有本文中给出的含义，具有MCH受体拮抗活性，并可用于制备用于治疗代谢紊乱和/或进食紊乱，特别是肥胖症和糖尿病的药物组合物。
• INHIBITORS OF LEUKOTRIENE PRODUCTION
  申请人：ABEYWARDANE Asitha

  公开号：US20140031339A1

  公开（公告）日：2014-01-30

  The present invention relates to compounds of formula (I): or a pharmaceutically acceptable salt thereof, wherein A 1 , A 2 , L 1 and B are as defined herein. The compounds of formula (I) are useful as inhibitors of leukotriene A 4 hydrolase (LTA 4 H) and treating LTA 4 H related disorders. The present invention also relates to pharmaceutical compositions comprising the compounds of formula (I), methods of using these compounds in the treatment of various diseases and disorders, and processes for preparing these compounds.

  本发明涉及式(I)的化合物或其药学上可接受的盐，其中A1、A2、L1和B的定义如本文所述。式(I)的化合物可用作白三烯A4水解酶（LTA4H）的抑制剂，并用于治疗LTA4H相关疾病。本发明还涉及包括式(I)的化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，以及制备这些化合物的过程。