2-[(3S)-3-[[(2S,3S,5R)-6-ethyl-3-hydroxy-5-methyl-4-[2-(4-methylphenyl)propyl]oxan-2-yl]methyl]-2-methylcyclohexyl]-1-(4-methylphenyl)ethanone

• 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: 2-[(3S)-3-[[(2S,3S,5R)-6-ethyl-3-hydroxy-5-methyl-4-[2-(4-methylphenyl)propyl]oxan-2-yl]methyl]-2-methylcyclohexyl]-1-(4-methylphenyl)ethanone
• 化学式: C₃₅H₅₀O₃
• 分子量: 518.8
• InChiKey: YQZJGCNIDUGZNQ-WQOJRLDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NOVEL GALACTOSIDE INHIBITORS OF GALECTINS
  申请人：Galecto Biotech AB

  公开号：US20140200190A1

  公开（公告）日：2014-07-17

  Compounds having an effect as i.a. galectin inhibitors, to the use of said compounds as a medicament, as well as for the manufacture of a medicament for treatment of disorders relating to the binding of galectin to receptors in a mammal, wherein the galectin is preferably a galectin-3. The novel compounds are defined by the general formula:

  具有影响如galectin抑制剂等效果的化合物，用于制备治疗哺乳动物中与galectin结合到受体相关的疾病的药物，其中galectin最好是galectin-3。新型化合物由通式定义：