2-(thioureidonaphthalene)ethyltrimethylammonium chloride | 1237706-79-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(thioureidonaphthalene)ethyltrimethylammonium chloride
• CAS: 1237706-79-4
• 化学式: C₁₆H₂₂N₃S*Cl
• 分子量: 323.89
• InChiKey: OOUZLAVGDBYQFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.16
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  24.06
• 氢给体数：
  2.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-AMINOETHYL TRIMETHYLAMMONIUM CHLORIDE 、 1-萘异硫氰酸酯 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 以46%的产率得到2-(thioureidonaphthalene)ethyltrimethylammonium chloride
  参考文献：
  名称：

  Protein and Small Molecule Recognition Properties of Deep Cavitands in a Supported Lipid Membrane Determined by Calcination-Enhanced SPR Spectroscopy

  摘要：

  This paper details the incorporation of a water-soluble deep cavitand into a membrane bilayer assembled onto a nanoglassified surface for study of molecular recognition in a membrane-mimicking setting. The cavitand retains its host properties, and real-time analysis of the host:guest properties of the membrane: cavitand complex via surface plasmon resonance and fluorescence microscopy is described. The host shows selectivity for choline-derived substrates, and no competitive incorporation of substrate is observed in the membrane bilayer. A variety of trimethylammonium-derived substrates are suitable guests, displaying varied binding affinities in a millimolar range. The membrane:cavitand:guest complexes can be subsequently used to capture NeutrAvidin protein at the membrane surface if a biotin-derived guest molecule is used. The surface coverage of NeutrAvidin is affected by the spacer used to derivatize the biotin. Increased distance from the bilayer allows a higher concentration of protein to be immobilized, suggesting a diminishing detrimental steric effect when the binding event is shifted away from the surface.

  DOI：

  10.1021/ja102252d