2-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: 2-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
• 化学式: C₁₈H₂₈N₃O₁₆P
• 分子量: 573.4
• InChiKey: SFLGTPJBQWRIMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.7
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  312
• 氢给体数：
  10
• 氢受体数：
  16

文献信息

• TREATMENT AND PREVENTION OF NEISSERIA GONORRHOEAE INFECTION USING CMP-ACTIVATED NONULOSONATE ANALOG COMPOUNDS
  申请人：NATIONAL RESEARCH COUNCIL OF CANADA

  公开号：US20210401863A1

  公开（公告）日：2021-12-30

  A method for treating or preventing a Neisseria gonorrhoeae infection in a subject is provided. The method comprises administering to the subject an effective amount of a compound of general formula I below or a pharmaceutical composition comprising the compound. The compound is a cytidine 5′-monophospho-nonulosonate (CMP-NulO) analog compound, such as cytidine 5′-monophospho-3,7-dideoxy-7-azido-D-glycero-D-galacto-nonulosonic acid (CMP-KDN7N 3 ).