N-(17-(4-cyanophenoxy)-3,6,12,15-tetraoxa-9-azaheptadecyl)-2,2,2-trifluoroacetamide | 923279-73-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(17-(4-cyanophenoxy)-3,6,12,15-tetraoxa-9-azaheptadecyl)-2,2,2-trifluoroacetamide
• CAS: 923279-73-6
• 化学式: C₂₁H₃₀F₃N₃O₆
• 分子量: 477.481
• InChiKey: NYJNLKBWKWTZNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  33.0
• 可旋转键数：
  19.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  111.07
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N-(17-(4-cyanophenoxy)-3,6,12,15-tetraoxa-9-azaheptadecyl)-2,2,2-trifluoroacetamide 、 三氟乙酸酐 在 吡啶 、 三乙胺 作用下， 以58%的产率得到N-(2-(2-(2-(4-cyanophenoxy)ethoxy)ethoxy)ethyl)-2,2,2-trifluoro-N-(2-(2-(2-(2,2,2-trifluoroacetamido)ethoxy)ethoxy)ethyl)acetamide
  参考文献：
  名称：

  WO2007/16455

  摘要：

  公开号：
• 作为产物：
  描述：

  、 N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroacetamide 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以61%的产率得到N-(17-(4-cyanophenoxy)-3,6,12,15-tetraoxa-9-azaheptadecyl)-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  WO2007/16455

  摘要：

  公开号：

文献信息

• Triple recognition of B-DNA
  作者：Bert Willis、Dev P. Arya

  DOI：10.1016/j.bmcl.2009.07.079

  日期：2009.9

  A novel conjugate of Hoechst 33258, pyrene and neomycin was synthesized and examined for its binding and stabilization of A-T rich DNA duplexes using spectroscopic and viscometric techniques. The conjugate, containing three well known ligands that bind nucleic acids albeit in different binding modes, was found to significantly stabilize DNA over parent conjugates containing only one or both of the other recognition elements. The study represents the first example of DNA molecular recognition capable of minor/major groove recognition in conjunction with intercalation. (C) 2009 Elsevier Ltd. All rights reserved.
• Triple Recognition of B-DNA by a Neomycin−Hoechst 33258−Pyrene Conjugate
  作者：Bert Willis、Dev P. Arya

  DOI：10.1021/bi9016796

  日期：2010.1.26

  Recent developments have indicated that aminoglycoside binding is not limited to RNA, but to nucleic acids that, like RNA, adopt conformations similar to its A-form. We further sought to expand the utility of aminoglycoside binding to B-DNA structures by conjugating neomycin, an aminoglycoside antibiotic, with the B-DNA minor groove binding ligand Hoechst 33258. Envisioning a dual groove binding mode, we have extended the potential recognition process to include I third, intercalative moiety. Similar conjugates. which vary ill the number of binding moieties but maintain Identical linkages to allow direct comparisons to be made, have also been prepared. We report herein novel neomycin- and Hoechst 33258-based conjugates developed Ill our laboratories for exploring the recognition potential with B-DNA. Spectroscopic studies Such as UV melting, differential scanning calorimetry, isothermal fluorescence titrations, and circular dichroism together illustrate the triple recognition of the novel conjugate containing neomycin, Hoechst 33258, and pyrene. This study represents the first example of DNA molecular recognition capable of minor versus major groove recognition in conjunction with intercalation.