4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
• 化学式: C₂₂H₄₄N₆O₁₀
• 分子量: 552.6
• InChiKey: MKKYBZZTJQGVCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.8
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  297
• 氢给体数：
  11
• 氢受体数：
  15

文献信息

• Aminoglycoside antibiotics for use as vap-1/ssao inhibitors
  申请人：Jalkanen Sirpa

  公开号：US20070093433A1

  公开（公告）日：2007-04-26

  The present invention concerns the use of a compound comprising one or more sugar moieties, which optionally are aminosubstitutes, and possibly other moieties, wherein said compound is a molecule comprising at least two aminosubstituents, said aminosubstituents being primary, secondary or tertiary amino groups, wherein said aminosubstituents are either attached to one single sugar moiety or attached to several sugar moieties or other moieties of the molecule, or to chains connecting two moieties or to chains being substituents to the molecule, for the manufacture of a pharmaceutical preparation useful as an agent capable of influencing an amine oxidase enzyme activity, more particularly inhibiting VAP-1/SSAO activity. The preferred compounds are aminoglycoside antibiotics, e.g., streptomycin, netilmicin, geneticin, gentamicin, puromycin, tobramycin and amikacin. The preferred conditions to be treated are inflammatory diseases or conditions, diseases related to carbohydrate metabolism, diseases related to aberrations in adipocyte differentiation or function or smooth muscle cell function, and vascular diseases.