tris[N-succinoyl[(valinyl)-5-fluorouridine] (benzyloxy)aminobutyl] isocyanurate | 261783-80-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: tris[N-succinoyl[(valinyl)-5-fluorouridine] (benzyloxy)aminobutyl] isocyanurate
• CAS: 261783-80-6
• 化学式: C₉₀H₁₁₄F₃N₁₅O₃₃
• 分子量: 1990.97
• InChiKey: LFRDMIJXDFPPBE-BKTAHAMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.29
• 重原子数：
  141.0
• 可旋转键数：
  51.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  634.47
• 氢给体数：
  12.0
• 氢受体数：
  39.0

反应信息

• 作为反应物：
  描述：

  tris[N-succinoyl[(valinyl)-5-fluorouridine] (benzyloxy)aminobutyl] isocyanurate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以99%的产率得到tris[N-succinoyl[(valinyl)-5-fluorouridine] hydroxyaminobutyl] isocyanurate
  参考文献：
  名称：

  Syntheses and studies of multiwarhead siderophore-5-fluorouridine conjugates

  摘要：

  Siderophores are microbial iron chelating agents that: sequester physiologically essential iron for microbes. Conjugation of drugs to siderophores allows use of active iron transport for microbially directed drug delivery. Syntheses and biological studies are described of the first multidrug isocyanurate-based siderophore analogues separately containing one, two, and three 5-fluorouridine (5-FU) derivatives as the drug component. The results indicate that a single siderophore can be used to deliver multiple drugs to target pathogenic microorganisms. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00248-5
• 作为产物：
  描述：

  Tris<butyl> isocyanurate 、 (S)-2-Amino-3-methyl-butyric acid (2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester; compound with toluene-4-sulfonic acid 在 4-二甲氨基吡啶 、 N-羟基-7-氮杂苯并三氮唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以45%的产率得到tris[N-succinoyl[(valinyl)-5-fluorouridine] (benzyloxy)aminobutyl] isocyanurate
  参考文献：
  名称：

  Syntheses and studies of multiwarhead siderophore-5-fluorouridine conjugates

  摘要：

  Siderophores are microbial iron chelating agents that: sequester physiologically essential iron for microbes. Conjugation of drugs to siderophores allows use of active iron transport for microbially directed drug delivery. Syntheses and biological studies are described of the first multidrug isocyanurate-based siderophore analogues separately containing one, two, and three 5-fluorouridine (5-FU) derivatives as the drug component. The results indicate that a single siderophore can be used to deliver multiple drugs to target pathogenic microorganisms. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00248-5