Fmoc-aeg(tpy)-OtBu | 1228700-26-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: Fmoc-aeg(tpy)-OtBu
• CAS: 1228700-26-2
• 化学式: C₄₀H₃₉N₅O₅
• 分子量: 669.78
• InChiKey: GFLBOKYSXPQJDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.46
• 重原子数：
  50.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  123.61
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  Fmoc-aeg(tpy)-OtBu 在 哌啶 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 aeg-(tpy)-OtBu
  参考文献：
  名称：

  Cu^II Cross-Linked Antiparallel Dipeptide Duplexes Using Heterofunctional Ligand-Substituted Aminoethylglycine

  摘要：

  Two artificial dipeptides containing both a pendant monodentate (pyridine (py)) and tridentate (terpyridine (tpy) or phenyl terpyridine (phi-tpy)) ligand on an aminoethylglycine (aeg) backbone have been synthesized. These oligopeptides are fully characterized by one and two-dimensional NMR spectroscopy, mass spectrometry, and elemental analysis. The ligands were chosen because they coordinate Cu2+ to form [Cu(py)(tpy)](2+) complexes; when bound to the dipeptide scaffold, Cu2+ chelation cross-links the strands to form double-stranded duplex structures with an antiparallel arrangement. Using spectrophotometric titrations, we observe coordination of one Cu2+ metal per dipeptide strand. Mass spectrometry, NMR spectroscopy, vapor pressure osmometry, and HPLC confirm that the resulting structures are the dipeptide duplex cross-linked by two metal centers.

  DOI：

  10.1021/ic100252g
• 作为产物：
  描述：

  2,2':6',2''-Terpyridine-4'-acetic acid 、 tert-butyl N-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)glycinate 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.25h， 以75%的产率得到Fmoc-aeg(tpy)-OtBu
  参考文献：
  名称：

  Cu^II Cross-Linked Antiparallel Dipeptide Duplexes Using Heterofunctional Ligand-Substituted Aminoethylglycine

  摘要：

  Two artificial dipeptides containing both a pendant monodentate (pyridine (py)) and tridentate (terpyridine (tpy) or phenyl terpyridine (phi-tpy)) ligand on an aminoethylglycine (aeg) backbone have been synthesized. These oligopeptides are fully characterized by one and two-dimensional NMR spectroscopy, mass spectrometry, and elemental analysis. The ligands were chosen because they coordinate Cu2+ to form [Cu(py)(tpy)](2+) complexes; when bound to the dipeptide scaffold, Cu2+ chelation cross-links the strands to form double-stranded duplex structures with an antiparallel arrangement. Using spectrophotometric titrations, we observe coordination of one Cu2+ metal per dipeptide strand. Mass spectrometry, NMR spectroscopy, vapor pressure osmometry, and HPLC confirm that the resulting structures are the dipeptide duplex cross-linked by two metal centers.

  DOI：

  10.1021/ic100252g