N-propyl-4-pyridazin-4-ylbutyramide | 1392429-29-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-propyl-4-pyridazin-4-ylbutyramide
• 英文别名: N-propyl-4-pyridazin-4-ylbutanamide
• CAS: 1392429-29-6
• 化学式: C₁₁H₁₇N₃O
• 分子量: 207.275
• InChiKey: HWMQFQZYMLKBBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  五羰基氯铼(I) 、 N-propyl-4-pyridazin-4-ylbutyramide 反应 3.0h， 生成
  参考文献：
  名称：

  Luminescent Conjugates between Dinuclear Rhenium Complexes and Peptide Nucleic Acids (PNA): Synthesis, Photophysical Characterization, and Cell Uptake

  摘要：

  Different PNA decamers have been appended to a luminescent [Re-2(mu-Cl)(2)(CO)(6)(mu-1,2-diazine)] complex, to obtain conjugates suitable for cellular imaging. The new compounds can be dissolved in water in the presence of an amount of DMSO as small as 0.4-0.6 mol %. The conjugation with PNA did not perturb the photoluminescence behavior of the organometallic fragment: emission from (MLCT)-M-3 excited states, centered at ca. 610 nm, was observed, with satisfactory photoluminescence quantum yields (Phi = ca. 0.01, in aerated water). Moreover, the emission could be stimulated also by two-photon excitation. Experiments of cell uptake, performed with different cell lines and under different experimental conditions, showed that the nature of the PNA oligomer strongly affects the biointeraction, while no major differences were observed among the cell lines investigated. The Re-PNA conjugates containing neutral PNA decamers (either homothymine or a standard sequence of the four nucleobases) showed a marked tendency to concentrate in the nuclear region, whereas nucleus penetration was more difficult for the free dirhenium complex. Staining of nucleus and cytoplasm with different colors was generally observed. No nucleus penetration was instead observed for a water-soluble Re-PNA homothymine decamer end-capped with four lysine residues, which localized in endosome-like compartments.

  DOI：

  10.1021/om3004515
• 作为产物：
  描述：

  正丙胺 、 4-(pyridazin-4-yl)butanoic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-propyl-4-pyridazin-4-ylbutyramide
  参考文献：
  名称：

  Luminescent Conjugates between Dinuclear Rhenium Complexes and Peptide Nucleic Acids (PNA): Synthesis, Photophysical Characterization, and Cell Uptake

  摘要：

  Different PNA decamers have been appended to a luminescent [Re-2(mu-Cl)(2)(CO)(6)(mu-1,2-diazine)] complex, to obtain conjugates suitable for cellular imaging. The new compounds can be dissolved in water in the presence of an amount of DMSO as small as 0.4-0.6 mol %. The conjugation with PNA did not perturb the photoluminescence behavior of the organometallic fragment: emission from (MLCT)-M-3 excited states, centered at ca. 610 nm, was observed, with satisfactory photoluminescence quantum yields (Phi = ca. 0.01, in aerated water). Moreover, the emission could be stimulated also by two-photon excitation. Experiments of cell uptake, performed with different cell lines and under different experimental conditions, showed that the nature of the PNA oligomer strongly affects the biointeraction, while no major differences were observed among the cell lines investigated. The Re-PNA conjugates containing neutral PNA decamers (either homothymine or a standard sequence of the four nucleobases) showed a marked tendency to concentrate in the nuclear region, whereas nucleus penetration was more difficult for the free dirhenium complex. Staining of nucleus and cytoplasm with different colors was generally observed. No nucleus penetration was instead observed for a water-soluble Re-PNA homothymine decamer end-capped with four lysine residues, which localized in endosome-like compartments.

  DOI：

  10.1021/om3004515