| 1331825-36-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1331825-36-5
• 化学式: C₇H₁₀N₆O₃
• 分子量: 226.195
• InChiKey: QLRPLBZBWCRNMY-ZXXMMSQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  155.05
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 di-tert-butyl ((1R,3S,4S,6R)-4-amino-6-methoxycyclohexane-1,3-diyl)dicarbamate 在 N-羟基-7-氮杂苯并三氮唑 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以42%的产率得到di-tert-butyl (((1R,3S,4S,6R)-4-((1-((1R,2R,4S,5S)-2,4-diazido-5-hydroxycyclohexyl)vinyl)amino)-6-methoxycyclohexane-1.3-diyl)dicarbamate)
  参考文献：
  名称：

  Conjugate of neamine and 2-deoxystreptamine mimic connected by an amide bond

  摘要：

  An amino-functionalized 2-deoxystreptamine (2-DOS) mimic was conjugated by an amide bond to a neamine moiety containing a carboxylic acid in ring II. A library of A-site RNA and its mutants was prepared to examine RNA binding characteristics of the additional 2-DOS moiety attached to neamine. The 2-DOS mimic conjugated to the neamine increased binding affinity up to 200-folds compared to that of neamine. The conjugate binds to native A-site RNA and its mutants with up to 6-fold difference in sequence selectivity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.084