5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
• 化学式: C₁₆H₂₃NO₃
• 分子量: 277.36
• InChiKey: UQEWGAXPJAITKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] SUBSTITUTED ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION<br/>[FR] COMPOSÉS ALDÉHYDES SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION POUR ACCROÎTRE L'OXYGÉNATION TISSULAIRE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2014145040A1

  公开（公告）日：2014-09-18

  Provided are cycloalkyl- and cycloalkenyl-substituted benzaldehydes and heteroaldehydes of formula (I) that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions containing the modulators, and methods for their use in treating disorders mediated by hemoglobin and disorders that would benefit from increased tissue oxygenation.