1-methyl-4-(4-((2-oxo-5-(5-(4-(trifluoromethoxy)phenyl)-1,3,4-oxadiazol-2-yl)pyridin-1(2H)-yl)methyl)pyridin-2-yl)piperazin-1-ium 2,2,2-trifluoroacetate | 1571034-85-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-methyl-4-(4-((2-oxo-5-(5-(4-(trifluoromethoxy)phenyl)-1,3,4-oxadiazol-2-yl)pyridin-1(2H)-yl)methyl)pyridin-2-yl)piperazin-1-ium 2,2,2-trifluoroacetate
• 英文别名: 1-[[2-(4-Methylpiperazin-4-ium-1-yl)pyridin-4-yl]methyl]-5-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-one;2,2,2-trifluoroacetate；1-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-4-yl]methyl]-5-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-one;2,2,2-trifluoroacetate
• CAS: 1571034-85-9
• 化学式: C₂HF₃O₂*C₂₅H₂₃F₃N₆O₃
• 分子量: 626.515
• InChiKey: VIHXCVWZSSAGPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  15

文献信息

• HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE
  申请人：Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center

  公开号：US20140073634A1

  公开（公告）日：2014-03-13

  The present invention relates to compounds and methods which may be useful as inhibitors of HIF pathway activity for the treatment or prevention of cancer and other hypoxia-mediated diseases.