rel-(1R,5S,6S)-6-Methyl-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-1-amine | 1159838-08-0

• 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: rel-(1R,5S,6S)-6-Methyl-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-1-amine
• CAS: 1159838-08-0
• 化学式: C₁₃H₁₈N₂
• 分子量: 202.3
• InChiKey: HXQPSZLCWXFUED-UIBOCIBTNA-N

物化性质

• 沸点：
  282.2±23.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)
• pKa：
  8.81±0.60 (Predicted,Most Basic Temp: 25 °C)

反应信息

• 作为反应物：
  描述：

  rel-(1R,5S,6S)-6-Methyl-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-1-amine 在 氢氧化钯 triethylamine radical cation 、 氢气 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 甲醇 、 异丙醇 、 Dimethylacetamide 为溶剂， 生成 (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hex-1-yl]cyclopropanecarboxamide
  参考文献：
  名称：

  Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1

  摘要：

  Herein, we disclose a new series of TYK2/ JAK1 inhibitors based upon a 3.1.0 azabicyclic substituted pyrimidine scaffold. We illustrate the use of structure-based drug design for the initial design and subsequent optimization of this series of compounds. One advanced example 19 met program objectives for potency, selectivity and ADME, and demonstrated oral activity in the adjuvant-induced arthritis rat model.

  DOI：

  10.1016/j.bmc.2020.115481

文献信息

• [EN] AMINOPYRIMIDINYL COMPOUNDS AS JAK INHIBITORS<br/>[FR] COMPOSÉS D'AMINOPYRIMIDINYLE EN TANT QU'INHIBITEURS DE JAK
  申请人：PFIZER

  公开号：WO2016027195A1

  公开（公告）日：2016-02-25

  A compound compound having the structure or a pharmaceutic acceptable salt thereof: Formula (I). Also provided are methods of treatment as Janus Kinase inhibitors and pharmaceutical compositions containing the compounds of the invention and combinations with other therapeutic agents.