| 1372791-22-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1372791-22-4
• 化学式: C₁₉H₂₉N₄O₆P
• 分子量: 440.436
• InChiKey: BGCUMAGCNJEDOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.55
• 重原子数：
  30.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  139.69
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 四丁基硫酸氢铵 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 528.0h， 生成
  参考文献：
  名称：

  Reversible Photocontrol of Peptide Conformation with a Rhodopsin-like Photoswitch

  摘要：

  Reversible photocontrol of biomolecules requires chromophores that can efficiently undergo large conformational changes upon exposure to wavelengths of light that are compatible with living systems. We designed a benzylidene-pyrroline chromophore that mimics the Schiff base of rhodopsin and can be used to introduce light-switchable intramolecular cross-links in peptides and proteins. This new class of photoswitch undergoes an similar to 10 angstrom change in end-to-end distance upon isomerization and can be used to control the conformation of a target peptide efficiently and reversibly using, alternately, violet (400 nm) and blue (446 nm) light.

  DOI：

  10.1021/ja301868p
• 作为产物：
  描述：

  4-氨基苯乙酮 在 aluminum (III) chloride 、 溴 、 四丁基硫酸氢铵 、 sodium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 39.0h， 生成
  参考文献：
  名称：

  Reversible Photocontrol of Peptide Conformation with a Rhodopsin-like Photoswitch

  摘要：

  Reversible photocontrol of biomolecules requires chromophores that can efficiently undergo large conformational changes upon exposure to wavelengths of light that are compatible with living systems. We designed a benzylidene-pyrroline chromophore that mimics the Schiff base of rhodopsin and can be used to introduce light-switchable intramolecular cross-links in peptides and proteins. This new class of photoswitch undergoes an similar to 10 angstrom change in end-to-end distance upon isomerization and can be used to control the conformation of a target peptide efficiently and reversibly using, alternately, violet (400 nm) and blue (446 nm) light.

  DOI：

  10.1021/ja301868p