(1R,8R)-11-(trifluoromethyl)-15-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene | 1422359-05-4

• 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: (1R,8R)-11-(trifluoromethyl)-15-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
• CAS: 1422359-05-4
• 化学式: C₂₀H₁₃F₆N₃O₂S
• 分子量: 473.399
• InChiKey: DOIJKTFHIPRLGB-QZTJIDSGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  74.4
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-三氟甲基苯磺酰胺 在 偶氮二异丁腈 、 三正丁基氢锡 、 四氯化钛 、 一水合肼 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 甲苯 、 苯 为溶剂， 生成 、 (1R,8R)-11-(trifluoromethyl)-15-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
  参考文献：
  名称：

  Discovery of a novel [3.2.1] benzo fused bicyclic sulfonamide-pyrazoles as potent, selective and efficacious γ-secretase inhibitors

  摘要：

  Structure-activity relationship (SAR) of a novel, potent and metabolically stable series of benzo [3.2.1] bicyclic sulfonamide-pyrazoles as gamma-secretase inhibitors are described. Compounds that are efficacious in reducing the cortical A beta x-40 levels in FVB mice via oral dose, as well as those with high selectivity over Notch, are highlighted. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.039

文献信息

• Discovery of a novel [3.2.1] benzo fused bicyclic sulfonamide-pyrazoles as potent, selective and efficacious γ-secretase inhibitors
  作者：Xiaocong M. Ye、Andrei W. Konradi、Minghua Sun、Shendong Yuan、Danielle L. Aubele、Michael Dappen、Darren Dressen、Albert W. Garofalo、Jacek J. Jagodzinski、Lee Latimer、Gary D. Probst、Hing L. Sham、David Wone、Ying-zi Xu、Daniel Ness、Elizabeth Brigham、Grace T. Kwong、Chris Willtis、George Tonn、Erich Goldbach、Kevin P. Quinn、Hongbin H. Zhang、John-Michael Sauer、Michael Bova、Guriqbal S. Basi

  DOI：10.1016/j.bmcl.2012.12.039

  日期：2013.2

  Structure-activity relationship (SAR) of a novel, potent and metabolically stable series of benzo [3.2.1] bicyclic sulfonamide-pyrazoles as gamma-secretase inhibitors are described. Compounds that are efficacious in reducing the cortical A beta x-40 levels in FVB mice via oral dose, as well as those with high selectivity over Notch, are highlighted. (C) 2012 Elsevier Ltd. All rights reserved.