phenyl((1R,5S,6r)-6-(((4-(pyridin-2-yl)thiazol-2-yl)amino)methyl)-3-azabicyclo[3.1.0]hexan-3-yl)methanone | 1246025-68-2

• 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: phenyl((1R,5S,6r)-6-(((4-(pyridin-2-yl)thiazol-2-yl)amino)methyl)-3-azabicyclo[3.1.0]hexan-3-yl)methanone
• CAS: 1246025-68-2
• 化学式: C₂₁H₂₀N₄OS
• 分子量: 376.482
• InChiKey: GRUBXWUHHBQVAE-BJWYYQGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  58.12
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  N-(((1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl)methyl)-4-(pyridin-2-yl)thiazol-2-amine 、 苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 phenyl((1R,5S,6r)-6-(((4-(pyridin-2-yl)thiazol-2-yl)amino)methyl)-3-azabicyclo[3.1.0]hexan-3-yl)methanone
  参考文献：
  名称：

  Synthesis and structure–activity relationship of N-(3-azabicyclo[3.1.0]hex-6-ylmethyl)-5-(2-pyridinyl)-1,3-thiazol-2-amines derivatives as NPY Y5 antagonists

  摘要：

  A novel class of small molecule NPY Y5 antagonists based around an azabicyclo[3.1.0]hexane scaffold was identified through modi. cation of a screening hit. Structure-activity relationships and efforts undertaken to achieve a favourable pharmacokinetic pro. le in rat are described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.140

文献信息

• Synthesis and structure–activity relationship of N-(3-azabicyclo[3.1.0]hex-6-ylmethyl)-5-(2-pyridinyl)-1,3-thiazol-2-amines derivatives as NPY Y5 antagonists
  作者：Matteo Biagetti、Colin Philip Leslie、Angelica Mazzali、Catia Seri、Domenica Antonia Pizzi、Jonathan Bentley、Thorsten Genski、Romano Di Fabio、Laura Zonzini、Laura Caberlotto

  DOI：10.1016/j.bmcl.2010.06.140

  日期：2010.8

  A novel class of small molecule NPY Y5 antagonists based around an azabicyclo[3.1.0]hexane scaffold was identified through modi. cation of a screening hit. Structure-activity relationships and efforts undertaken to achieve a favourable pharmacokinetic pro. le in rat are described. (C) 2010 Elsevier Ltd. All rights reserved.