((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl 2-(6-chloro-1,3-dioxo-1H-benzo[f]isoindol-2(3H)-yl)acetate | 1250833-63-6

• 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: ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl 2-(6-chloro-1,3-dioxo-1H-benzo[f]isoindol-2(3H)-yl)acetate
• CAS: 1250833-63-6
• 化学式: C₂₄H₂₀ClN₃O₈
• 分子量: 513.891
• InChiKey: YINQNSLTDZRLQO-IPMKNSEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.14
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  148.0
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2-(6-chloro-1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)acetyl chloride 、 beta-胸苷 以 四氢呋喃 为溶剂， 反应 3.0h， 以75%的产率得到((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl 2-(6-chloro-1,3-dioxo-1H-benzo[f]isoindol-2(3H)-yl)acetate
  参考文献：
  名称：

  Labeling of nucleosides with fluorescent 6-chloro-2,3-napthalimide

  摘要：

  The synthesis and fluorescence properties of new highly fluorescent nucleosides are reported. 6-Chloro-2,3-napthalimides activated with benzotriazole and chlorine label nucleosides quickly and efficiently in yields of 70-82%: the products exhibit quantum efficiencies of 10-94% in solvents of diverse polarity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.100