6-Aminohexyl-uridine-C1,5'-diphosphate | 40248-31-5

• 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: 6-Aminohexyl-uridine-C1,5'-diphosphate
• 英文别名: [6-aminohexoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
• CAS: 40248-31-5
• 化学式: C₁₅H₂₇N₃O₁₂P₂
• 分子量: 503.34
• InChiKey: MLWJBKPFDKRHBM-FMKGYKFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  227
• 氢给体数：
  6
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  Fluorescein isothiocyanate 、 6-Aminohexyl-uridine-C1,5'-diphosphate 在 碳酸氢钠 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-[6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
  参考文献：
  名称：

  Identification of Inhibitors for UDP-Galactopyranose Mutase

  摘要：

  The flavoenzyme uridine 5'-diphosphate (UDP)-galactopyranose mutase (UGM) plays a key role in the cell wall biosynthesis of many pathogens, including Mycobacterium tuberculosis. Using a synthetic fluorescent ligand, we screened 16 000 compounds in a fluorescence polarization assay. Effective inhibitors of UGM were identified.

  DOI：

  10.1021/ja048017v

文献信息

• Identification of Inhibitors for UDP-Galactopyranose Mutase
  作者：Michelle Soltero-Higgin、Erin E. Carlson、John H. Phillips、Laura L. Kiessling

  DOI：10.1021/ja048017v

  日期：2004.9.1

  The flavoenzyme uridine 5'-diphosphate (UDP)-galactopyranose mutase (UGM) plays a key role in the cell wall biosynthesis of many pathogens, including Mycobacterium tuberculosis. Using a synthetic fluorescent ligand, we screened 16 000 compounds in a fluorescence polarization assay. Effective inhibitors of UGM were identified.