3-[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
• 英文别名: 3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
• 化学式: C₁₅H₂₀O₈
• 分子量: 328.31
• InChiKey: CTBTYMWZDWFXTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.12
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  136.68
• 氢给体数：
  5.0
• 氢受体数：
  7.0

文献信息

• BIVALENT LECA INHIBITORS TARGETING BIOFILM FORMATION OF PSEUDOMONAS AERUGINOSA
  申请人：HELMHOLTZ-ZENTRUM FÜR INFEKTIONSFORSCHUNG GMBH

  公开号：US20220402960A1

  公开（公告）日：2022-12-22

  The present invention relates to divalent compounds binding to LecA. The compounds are useful to block biofilm formation of Pseudomonas aeruginosa . The invention further relates to pharmaceutical compositions comprising these compounds and to therapeutic methods and uses of these compounds, in particular to therapeutic methods and uses for the treatment of Pseudomonas aeruginosa infections in a subject. The invention also relates to imaging of infections, such as biofilms produced by Pseudomonas aeruginosa , by using these divalent compounds.