2-Azido-N-(4-{5-[4-(2-azido-acetylamino)-phenyl]-[1,3,4]oxadiazol-2-yl}-phenyl)-acetamide | 865439-32-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Azido-N-(4-{5-[4-(2-azido-acetylamino)-phenyl]-[1,3,4]oxadiazol-2-yl}-phenyl)-acetamide
• 英文别名: 2-azido-N-[4-[5-[4-[(2-azidoacetyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide
• CAS: 865439-32-3
• 化学式: C₁₈H₁₄N₁₀O₃
• 分子量: 418.374
• InChiKey: QAOAEJLFGFGLMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  194.64
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (1S,2R,3R,4S,6R)-4,6-diamino-3-pent-4-ynoxycyclohexane-1,2-diol 、 2-Azido-N-(4-{5-[4-(2-azido-acetylamino)-phenyl]-[1,3,4]oxadiazol-2-yl}-phenyl)-acetamide 在 tetrakis(actonitrile)copper(I) hexafluorophosphate 作用下， 以 二甲基亚砜 为溶剂， 反应 0.01h， 生成 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]triazol-1-yl]-N-[4-[5-[4-[[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide
  参考文献：
  名称：

  Size-Specific Ligands for RNA Hairpin Loops

  摘要：

  The targeting of one mRNA in the transcriptome requires small molecules that bind with substantial affinity and specificity. As such, compounds with specificity for individual RNA secondary structural motifs could be useful for targeting RNA. Described herein is the synthesis of a combinatorial library of 105 dimers of deoxystreptamine and the subsequent identification of compounds with specificity for specific RNA hairpin loop sizes, including tetraloops and octaloops. Such compounds will be useful for the perturbation of RNA function in vivo.

  DOI：

  10.1021/ja051685b
• 作为产物：
  描述：

  2-Chloro-N-(4-{5-[4-(2-chloro-acetylamino)-phenyl]-[1,3,4]oxadiazol-2-yl}-phenyl)-acetamide 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 2-Azido-N-(4-{5-[4-(2-azido-acetylamino)-phenyl]-[1,3,4]oxadiazol-2-yl}-phenyl)-acetamide
  参考文献：
  名称：

  Size-Specific Ligands for RNA Hairpin Loops

  摘要：

  The targeting of one mRNA in the transcriptome requires small molecules that bind with substantial affinity and specificity. As such, compounds with specificity for individual RNA secondary structural motifs could be useful for targeting RNA. Described herein is the synthesis of a combinatorial library of 105 dimers of deoxystreptamine and the subsequent identification of compounds with specificity for specific RNA hairpin loop sizes, including tetraloops and octaloops. Such compounds will be useful for the perturbation of RNA function in vivo.

  DOI：

  10.1021/ja051685b