2-(4-benzyl-piperidin-1-yl)phenylamine | 455260-03-4

• 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-(4-benzyl-piperidin-1-yl)phenylamine
• 英文别名: 2-(4-Benzyl-1-piperidinyl)aniline；2-(4-benzylpiperidin-1-yl)aniline
• CAS: 455260-03-4
• 化学式: C₁₈H₂₂N₂
• 分子量: 266.386
• InChiKey: BWCLECGAOAWVIM-UHFFFAOYSA-N

物化性质

• 沸点：
  428.0±28.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-二氟苯基异氰酸酯 、 2-(4-benzyl-piperidin-1-yl)phenylamine 以 四氢呋喃 为溶剂， 反应 0.5h， 以160 mg的产率得到1-[2-(4-benzyl-piperidin-1-yl)phenyl]-3-(2,4-difluoro-phenyl)urea
  参考文献：
  名称：

  Discovery and Structure−Activity Relationship of N-(Ureidoalkyl)-Benzyl-Piperidines As Potent Small Molecule CC Chemokine Receptor-3 (CCR3) Antagonists

  摘要：

  Structure-activity relationship (SAR) studies of initial screening hits from our corporate library of compounds and a structurally related series of CCR1 receptor antagonists were used to determine that an N-(alkyl)benzylpiperidine is an essential pharmacophore for selective CCR3 antagonists. Further SAR studies that introduced N-(ureidoalkyl) substituents improved the binding potency of these compounds from the micromolar to the low nanomolar range. This new series of compounds also displays highly potent, in vitro functional CCR3-mediated antagonism of eotaxin-induced Ca2+ mobilization and chemotaxis of human eosinophils.

  DOI：

  10.1021/jm0201767
• 作为产物：
  描述：

  4-苄基哌啶 在 甲醇 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-(4-benzyl-piperidin-1-yl)phenylamine
  参考文献：
  名称：

  [EN] SULFONANILIDE AND BENZYLSULFONYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF
  [FR] DÉRIVÉS DE SULFONANILIDE ET BENZYLSULFONYLE, ET COMPOSITIONS ET PROCÉDÉS ASSOCIÉS

  摘要：

  这项发明提供了新型磺胺苯胺和苯基磺酰衍生物，以及其制备和使用的组合物和方法，可用于治疗与TRPML活性相关的各种疾病和紊乱，如溶酶体贮积症、肌肉营养不良、与年龄相关的常见神经退行性疾病、氧化应激或与活性氧（ROS）相关的疾病以及衰老。

  公开号：

  WO2022076383A1

文献信息

• [EN] SULFONANILIDE AND BENZYLSULFONYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF<br/>[FR] DÉRIVÉS DE SULFONANILIDE ET BENZYLSULFONYLE, ET COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：LYSOWAY THERAPEUTICS INC

  公开号：WO2022076383A1

  公开（公告）日：2022-04-14

  The invention provides novel sulfonanilide and benzylsulfonyl derivatives, and compositions and methods of preparation and use thereof, that are useful in treating various diseases and disorders related to TRPML activities such as lysosome storage diseases, muscular dystrophy, age-related common neurodegenerative diseases, oxidative stress or reactive oxygen species (ROS) related diseases, and ageing.

  这项发明提供了新型磺胺苯胺和苯基磺酰衍生物，以及其制备和使用的组合物和方法，可用于治疗与TRPML活性相关的各种疾病和紊乱，如溶酶体贮积症、肌肉营养不良、与年龄相关的常见神经退行性疾病、氧化应激或与活性氧（ROS）相关的疾病以及衰老。
• Inhibitors of p38-a kinase
  申请人：——

  公开号：US20020115671A1

  公开（公告）日：2002-08-22

  The invention is directed to prepare medicaments for treatment of and to methods to treat conditions mediated by kinase using compounds of the formula 1 wherein Ar 1 and Ph are limited to specific embodiments or wherein the compound of formula (3) is a compound set forth in FIGS. 1 A- 1 I.

  本发明涉及使用公式1中的化合物制备治疗药物以及治疗由激酶介导的疾病的方法，其中Ar1和Ph被限制为特定的实施方式，或者公式（3）中的化合物是在图1A-1I中列出的化合物。
• US6541477B2
  申请人：——

  公开号：US6541477B2

  公开（公告）日：2003-04-01
• Discovery and Structure−Activity Relationship of N-(Ureidoalkyl)-Benzyl-Piperidines As Potent Small Molecule CC Chemokine Receptor-3 (CCR3) Antagonists
  作者：George V. De Lucca、Ui T. Kim、Curt Johnson、Brian J. Vargo、Patricia K. Welch、Maryanne Covington、Paul Davies、Kimberly A. Solomon、Robert C. Newton、George L. Trainor、Carl P. Decicco、Soo S. Ko

  DOI：10.1021/jm0201767

  日期：2002.8.1

  Structure-activity relationship (SAR) studies of initial screening hits from our corporate library of compounds and a structurally related series of CCR1 receptor antagonists were used to determine that an N-(alkyl)benzylpiperidine is an essential pharmacophore for selective CCR3 antagonists. Further SAR studies that introduced N-(ureidoalkyl) substituents improved the binding potency of these compounds from the micromolar to the low nanomolar range. This new series of compounds also displays highly potent, in vitro functional CCR3-mediated antagonism of eotaxin-induced Ca2+ mobilization and chemotaxis of human eosinophils.