(S)-1-{Benzyl-[1-(4-butoxy-benzenesulfonyl)-azetidin-3-yl]-amino}-3-(9H-carbazol-4-yloxy)-propan-2-ol | 392231-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (S)-1-{Benzyl-[1-(4-butoxy-benzenesulfonyl)-azetidin-3-yl]-amino}-3-(9H-carbazol-4-yloxy)-propan-2-ol
• CAS: 392231-87-7
• 化学式: C₃₅H₃₉N₃O₅S
• 分子量: 613.778
• InChiKey: MJYOAMJACKNNNH-NDEPHWFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.82
• 重原子数：
  44.0
• 可旋转键数：
  14.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  95.1
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-1-{Benzyl-[1-(4-butoxy-benzenesulfonyl)-azetidin-3-yl]-amino}-3-(9H-carbazol-4-yloxy)-propan-2-ol 在 palladium on activated charcoal 、 ammonium formate 作用下， 以 甲醇 为溶剂， 生成 (S)-1-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-ylamino]-3-(9H-carbazol-4-yloxy)-propan-2-ol
  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：

  4-Butoxy-benzenesulfonic acid 1-(4-butoxy-benzenesulfonyl)-azetidin-3-yl ester 以 四氢呋喃 、 甲醇 为溶剂， 生成 (S)-1-{Benzyl-[1-(4-butoxy-benzenesulfonyl)-azetidin-3-yl]-amino}-3-(9H-carbazol-4-yloxy)-propan-2-ol
  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