1-(4-tert-butylphenylsulfonyl)-4-(3-(trifluoromethyl)pyridin-2-yl)piperazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-tert-butylphenylsulfonyl)-4-(3-(trifluoromethyl)pyridin-2-yl)piperazine
• 英文别名: Arylsulfonylpiperazine, 10；1-(4-tert-butylphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
• 化学式: C₂₀H₂₄F₃N₃O₂S
• 分子量: 427.491
• InChiKey: FLXPQNBNWSTLJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  61.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  对叔丁基苯磺酰氯 、 1-[3-(三氟甲基)吡啶-2-基]哌嗪 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-(4-tert-butylphenylsulfonyl)-4-(3-(trifluoromethyl)pyridin-2-yl)piperazine
  参考文献：
  名称：

  Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1)

  摘要：

  High-throughput screening of a small-molecule compound library resulted in the identification of a series of arylsulfonylpiperazines that are potent and selective inhibitors of human 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1). Optimization of the initial lead resulted in the discovery of compound (R)-45 (11beta-HSD1 IC(50)=3nM).

  DOI：

  10.1016/j.bmcl.2008.05.025

文献信息

• [EN] DIAZA HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USES<br/>[FR] DERIVES DIAZA HETEROCYCLIQUES DE SULFONAMIDE ET LEURS UTILISATIONS
  申请人：AMGEN INC

  公开号：WO2007070506A3

  公开（公告）日：2007-12-13
• Diaza heterocyclic sulfonamide derivatives and their uses
  申请人：Powers P. Jay

  公开号：US20070173494A1

  公开（公告）日：2007-07-26

  Diaza heterocyclic sulfonamide derivatives according to formula I have therapeutic utility, particularly in the treatment of diabetes, obesity and related conditions and disorders: where R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , X, Y 1 , Y 2 , m, and n are set forth in the description.
• US7825122B2
  申请人：——

  公开号：US7825122B2

  公开（公告）日：2010-11-02
• Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1)
  作者：Daqing Sun、Zhulun Wang、Yongmei Di、Juan C. Jaen、Marc Labelle、Ji Ma、Shichang Miao、Athena Sudom、Liang Tang、Craig S. Tomooka、Hua Tu、Stefania Ursu、Nigel Walker、Xuelei Yan、Qiuping Ye、Jay P. Powers

  DOI：10.1016/j.bmcl.2008.05.025

  日期：2008.6

  High-throughput screening of a small-molecule compound library resulted in the identification of a series of arylsulfonylpiperazines that are potent and selective inhibitors of human 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1). Optimization of the initial lead resulted in the discovery of compound (R)-45 (11beta-HSD1 IC(50)=3nM).