N-{5-[(R)-2-(Azetidin-3-yl-benzyl-amino)-1-hydroxy-ethyl]-2-hydroxy-phenyl}-methanesulfonamide | 600168-76-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-{5-[(R)-2-(Azetidin-3-yl-benzyl-amino)-1-hydroxy-ethyl]-2-hydroxy-phenyl}-methanesulfonamide
• CAS: 600168-76-1
• 化学式: C₁₉H₂₅N₃O₄S
• 分子量: 391.491
• InChiKey: JLGPWLTUWCOICB-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  101.9
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-{5-[(R)-2-(Azetidin-3-yl-benzyl-amino)-1-hydroxy-ethyl]-2-hydroxy-phenyl}-methanesulfonamide 在 palladium on activated charcoal 、 ammonium formate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 N-(5-{(R)-2-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-ylamino]-1-hydroxy-ethyl}-2-hydroxy-phenyl)-methanesulfonamide
  参考文献：
  名称：

  Cyclic amine sulfonamides as linkers in the design and synthesis of novel human β3 adrenergic receptor agonists

  摘要：

  Piperidine, pyrrolidine, and azetidine sulfonamides were examined as linkers in designing novel human beta(3) adrenergic receptor (beta(3)-AR) agonists. The azetidine derivative 37, and piperidine derivatives 7, 8, and 13 were found to be potent beta(3)-AR agonists and have good selectivity against beta(1)- and beta(2)-AR. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00387-1
• 作为产物：
  描述：

  3-{Benzyl-[(R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethyl]-amino}-azetidine-1-carboxylic acid 1-chloro-ethyl ester 在 甲醇 作用下， 生成 N-{5-[(R)-2-(Azetidin-3-yl-benzyl-amino)-1-hydroxy-ethyl]-2-hydroxy-phenyl}-methanesulfonamide
  参考文献：
  名称：

  Cyclic amine sulfonamides as linkers in the design and synthesis of novel human β3 adrenergic receptor agonists

  摘要：

  Piperidine, pyrrolidine, and azetidine sulfonamides were examined as linkers in designing novel human beta(3) adrenergic receptor (beta(3)-AR) agonists. The azetidine derivative 37, and piperidine derivatives 7, 8, and 13 were found to be potent beta(3)-AR agonists and have good selectivity against beta(1)- and beta(2)-AR. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00387-1