(1R,2R,4S,5S)-2,4-diamino-5-(((2S,3R,4R,5S,6R)-3-amn-6-(aminomethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-N-((1S,2S,4R,5R)-2,4-diamino-5-methoxycyclohexyl)cyclohexanecarboxamide | 1331825-32-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,2R,4S,5S)-2,4-diamino-5-(((2S,3R,4R,5S,6R)-3-amn-6-(aminomethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-N-((1S,2S,4R,5R)-2,4-diamino-5-methoxycyclohexyl)cyclohexanecarboxamide
• 英文别名: (1R,2R,4S,5S)-2,4-diamino-5-[(2S,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-N-[(1S,2S,4R,5R)-2,4-diamino-5-methoxycyclohexyl]cyclohexane-1-carboxamide
• CAS: 1331825-32-1
• 化学式: C₂₀H₄₁N₇O₆
• 分子量: 475.589
• InChiKey: CHZMQCDANQMIHL-KXSOIDCJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  253
• 氢给体数：
  9
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  (2R,3R,5R,6S)-5-azido-2-(azidomethyl)-6-(((1S,2S,4R,5R)-2,4-diazido-5-(((1S,2S,4R,5R)-2,4-diazido-5-methoxycyclohexyl)carbomoyl)cyclohexyl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate 在 三丁基膦 、 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 0.25h， 生成 (1R,2R,4S,5S)-2,4-diamino-5-(((2S,3R,4R,5S,6R)-3-amn-6-(aminomethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-N-((1S,2S,4R,5R)-2,4-diamino-5-methoxycyclohexyl)cyclohexanecarboxamide
  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