(1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclopentyl-2,5-diazabicyclo[2.2.1]heptane | 1116571-89-1

• 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: (1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclopentyl-2,5-diazabicyclo[2.2.1]heptane
• 英文别名: (1S,4S)-2-(4-tert-butylphenyl)sulfonyl-5-cyclopentyl-2,5-diazabicyclo[2.2.1]heptane
• CAS: 1116571-89-1
• 化学式: C₂₀H₃₀N₂O₂S
• 分子量: 362.536
• InChiKey: BRBANFJYZRAWJF-ROUUACIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 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：

  (1S,4S)-2-(4-tert-butylphenylsulfonyl)-2,5-diazabicyclo[2.2.1]heptane 、 环戊酮 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 (1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclopentyl-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

• 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。