(1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane | 1116571-76-6

• 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: (1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
• 英文别名: (1S,4S)-2-(4-tert-butylphenyl)sulfonyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
• CAS: 1116571-76-6
• 化学式: C₁₆H₂₄N₂O₂S
• 分子量: 308.445
• InChiKey: KOHHGIMNTRTWRH-KBPBESRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  49
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对叔丁基苯磺酰氯 、 (1S,4s)-5-甲基-2,5-二氮杂双环[2.2.1]庚烷 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
  参考文献：
  名称：

  氮杂双环磺酰胺类作为有效的11β-HSD1抑制剂

  摘要：

  已证明抑制11β-HSD1具有治疗代谢综合症各个组成部分的潜力。我们希望在此报告发现新型基于氮杂双环磺酰胺的11β-HSD1抑制剂。鉴定出对人和小鼠11β-HSD1均表现出抑制活性的高效化合物。几种化合物在小鼠可的松激发试验中显示出显着的体内活性。

  DOI：

  10.1016/j.bmcl.2010.01.082

文献信息

• [EN] SUBSTITUTED BICYCLIC PIPERIDINYL-AND PIPERAZINYL- SULFONAMIDES USEFUL TO INHIBIT 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE-1<br/>[FR] SULFONAMIDES DE PIPÉRIDINYLE ET DE PIPÉRAZINYLE BICYCLIQUES SUBSTITUÉS UTILISÉS POUR INHIBER LA 11?-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE DE TYPE-1
  申请人：SCHERING CORP

  公开号：WO2009023180A1

  公开（公告）日：2009-02-19

  In its many embodiments, the present invention relates to a novel class of substituted bicyclic piperidinyl- and piperazinylsulfonamide 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.

  在其多种实施方式中，本发明涉及一种新型的取代的双环哌啶基和哌嗪基磺酰胺化合物，用于抑制11β-羟基类固醇脱氢酶I型，包含该化合物的制药组合物以及使用该化合物或制药组合物治疗、预防、抑制或改善与11β-羟基类固醇脱氢酶I型表达相关的一个或多个病症的方法。
• SUBSTITUTED BICYCLIC PIPERIDINYL-AND PIPERAZINYL- SULFONAMIDES USEFUL TO INHIBIT 11 -HYDROXYSTEROID DEHYDROGENASE TYPE-1
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2195315B1

  公开（公告）日：2017-01-18
• SUBSTITUTED BICYCLIC PIPERIDINYL-AND PIPERAZINYL- SULFONAMIDES USEFUL TO INHIBIT 11beta-HYDROXYSTEROID DEHYDROGENASE TYPE-1
  申请人：Shah Unmesh

  公开号：US20110059929A1

  公开（公告）日：2011-03-10

  In its many embodiments, the present invention relates to a novel class of substituted bicyclic piperidinyl- and piperazinylsulfonamide 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.
• Azabicyclic sulfonamides as potent 11β-HSD1 inhibitors
  作者：Unmesh Shah、Craig D. Boyle、Samuel Chackalamannil、Hana Baker、Timothy Kowalski、Julie Lee、Giuseppe Terracina、Lili Zhang

  DOI：10.1016/j.bmcl.2010.01.082

  日期：2010.3

  Inhibition of 11β-HSD1 has demonstrated potential in the treatment of various components of metabolic syndrome. We wish to report herein the discovery of novel azabicyclic sulfonamide based 11β-HSD1 inhibitors. Highly potent compounds exhibiting inhibitory activities at both human and mouse 11β-HSD1 were identified. Several compounds demonstrated significant in vivo activity in the mouse cortisone

  已证明抑制11β-HSD1具有治疗代谢综合症各个组成部分的潜力。我们希望在此报告发现新型基于氮杂双环磺酰胺的11β-HSD1抑制剂。鉴定出对人和小鼠11β-HSD1均表现出抑制活性的高效化合物。几种化合物在小鼠可的松激发试验中显示出显着的体内活性。