4-(2-Bromo-4,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]pyridine | 1422359-52-1

• 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: 4-(2-Bromo-4,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]pyridine
• 英文别名: 4-(2-bromo-4,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]pyridine
• CAS: 1422359-52-1
• 化学式: C₁₉H₁₁BrF₅N₃O₂S
• 分子量: 520.277
• InChiKey: HNJFSHIUZURJBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  74.4
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-(2-Bromo-4,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]pyridine 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 苯 为溶剂， 生成 、 (1R,8R)-11,12-difluoro-15-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-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
• 作为产物：
  描述：

  4-三氟甲基苯磺酰胺 在 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 为溶剂， 生成 4-(2-Bromo-4,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]pyridine
  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