2-(2-Bromo-4,5-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydropyridin-4-one | 1429329-42-9

• 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: 2-(2-Bromo-4,5-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydropyridin-4-one
• 英文别名: 2-(2-bromo-4,5-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydropyridin-4-one
• CAS: 1429329-42-9
• 化学式: C₁₈H₁₁BrF₅NO₃S
• 分子量: 496.252
• InChiKey: QKDUGIWQHDNQAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-(2-Bromo-4,5-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydropyridin-4-one 在 一水合肼 作用下， 以 乙醇 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
• 作为产物：
  描述：

  4-三氟甲基苯磺酰胺 在 四氯化钛 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 生成 2-(2-Bromo-4,5-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydropyridin-4-one
  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