N-isopropyl-2-({5-[(5-{[2-(isopropylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-isopropyl-2-({5-[(5-{[2-(isopropylanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
• 英文别名: 2-[[5-[[5-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
• 化学式: C₃₉H₄₀N₈O₂S₂
• 分子量: 716.9
• InChiKey: OUHHCXQGFBNJFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  51
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  153
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Mount Sinai School Of Medicine Of New York University

  公开号：EP2413696A1

  公开（公告）日：2012-02-08
• [EN] COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] COMPOSITIONS POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：SINAI SCHOOL MEDICINE

  公开号：WO2010114636A1

  公开（公告）日：2010-10-07

  The present invention includes Aβ-reducing and/or Aβ-anti-aggregation compounds and their uses in pharmaceutical compositions. The present invention further includes methods of formulating pharmaceutical compositions and methods of administering the compositions for treatment of Alzheimer's disease.