2-methyl-3-phenyl-1-((1R,5S,6r)-6-(((4-(pyridin-2-yl)thiazol-2-yl)amino)methyl)-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one | 1245836-39-8

• 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-methyl-3-phenyl-1-((1R,5S,6r)-6-(((4-(pyridin-2-yl)thiazol-2-yl)amino)methyl)-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one
• CAS: 1245836-39-8
• 化学式: C₂₅H₂₈N₄OS
• 分子量: 432.59
• InChiKey: OUPJDRWMKZYPFB-ROSQCRCOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.76
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 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 、 α-methyl-β-phenylbutyryl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-methyl-3-phenyl-1-((1R,5S,6r)-6-(((4-(pyridin-2-yl)thiazol-2-yl)amino)methyl)-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one
  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.