1-(4-Tert-butylphenylsulfonyl)-4-methoxy-4-phenylazepane | 1116679-90-3

• 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: 1-(4-Tert-butylphenylsulfonyl)-4-methoxy-4-phenylazepane
• 英文别名: 1-(4-tert-butylphenyl)sulfonyl-4-methoxy-4-phenylazepane
• CAS: 1116679-90-3
• 化学式: C₂₃H₃₁NO₃S
• 分子量: 401.57
• InChiKey: ZRXFZVFGINBCMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-Tert-butylphenylsulfonyl)-4-phenylazepan-4-ol 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.5h， 以80%的产率得到1-(4-Tert-butylphenylsulfonyl)-4-methoxy-4-phenylazepane
  参考文献：
  名称：

  [EN] SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1
  [FR] SULFONAMIDES À SUBSTITUTION AZÉPINE ET DIAZÉPINE UTILISÉS POUR INHIBER LA 11-BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE DE TYPE-1

  摘要：

  公开号：

  WO2009023664A3

文献信息

• [EN] SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1<br/>[FR] SULFONAMIDES À SUBSTITUTION AZÉPINE ET DIAZÉPINE UTILISÉS POUR INHIBER LA 11-BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE DE TYPE-1
  申请人：SCHERING CORP

  公开号：WO2009023664A3

  公开（公告）日：2009-07-23
• SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1
  申请人：Neelamkavil Santhosh

  公开号：US20110129542A1

  公开（公告）日：2011-06-02

  In its many embodiments, the present invention relates to a novel class of substituted azepine- and diazepine-sulfonamide compounds useful to inhibit 11β-hydroxysteroid dehydrogenase type-I, pharmaceutical compositions containing the compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more conditions associated with the expression of 11β-hydroxysteroid dehydrogenase type-I using such compounds or pharmaceutical compositions.
• The discovery of azepane sulfonamides as potent 11β-HSD1 inhibitors
  作者：Santhosh F. Neelamkavil、Craig D. Boyle、Samuel Chackalamannil、William J. Greenlee、Lili Zhang、Giuseppe Terracina

  DOI：10.1016/j.bmcl.2009.07.003

  日期：2009.8

  Discovery of a series of azepine sulfonamides as potent inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) is described. SAR studies at the 4-position of the azepane ring have resulted in the discovery of a very potent compound 30 which has an 11 beta-HSD1 IC50 of 3.0 nM. (C) 2009 Elsevier Ltd. All rights reserved.