| 1000022-45-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1000022-45-6
• 化学式: C₅₃H₉₃N₉O₂₄
• 分子量: 1240.37
• InChiKey: VGMVPJYEKHQTFL-HPFSBBRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.82
• 重原子数：
  86.0
• 可旋转键数：
  16.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  455.5
• 氢给体数：
  12.0
• 氢受体数：
  25.0

反应信息

• 作为反应物：
  描述：

  、 炔丙胺 在 TBTA 、 copper(II) sulfate 、 维生素 C 作用下， 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Two-Dimensional Combinatorial Screening Identifies Specific Aminoglycoside−RNA Internal Loop Partners

  摘要：

  Herein is described the identification of RNA internal loops that bind to derivatives of neomycin B, neamine, tobramycin, and kanamycin A. RNA loop-ligand partners were identified by a two-dimensional combinatorial screening (2DCS) platform that probes RNA and chemical spaces simultaneously. In 2DCS, an aminoglycoside library immobilized onto an agarose microarray was probed for binding to a 3 x 3 nucleotide RNA internal loop library (81 920 interactions probed in duplicate in a single experiment). RNAs that bound aminoglycosides were harvested from the array via gel excision. RNA internal loop preferences for three aminoglycosides were identified from statistical analysis of selected structures. This provides consensus RNA internal loops that bind these structures and include: loops with potential GA pairs for the neomycin derivative, loops with potential GG pairs for the tobramycin derivative, and pyrimidine-rich loops for the kanamycin A derivative. Results with the neamine derivative show that it binds a variety of loops, including loops that contain potential GA pairs that also recognize the neomycin B derivative. All studied selected internal loops are specific for the aminoglycoside that they were selected to bind. Specificity was quantified for 16 selected internal loops by studying their binding to each of the arrayed aminoglycosides. Specificities ranged from 2- to 80-fold with an average specificity of 20-fold. These studies show that 2DCS is a unique platform to probe RNA and chemical space simultaneously to identify specific RNA motif-ligand interactions.

  DOI：

  10.1021/ja803234t
• 作为产物：
  描述：

  在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 以86%的产率得到
  参考文献：
  名称：

  A strategy to enhance the binding affinity of fluorophore–aptamer pairs for RNA tagging with neomycin conjugation

  摘要：

  我们设计并合成了可用于 RNA 标记的荧光苏尔福达明-新霉素共轭物。共轭物通过与 RNA 合体结合而被荧光激活，与相应的非共轭荧光团相比，其结合亲和力提高了 250400 倍。

  DOI：

  10.1039/c2cc34498j