tert-butyl (2-(2-(2-(2-chloro-3-methylquinoline-4-carboxamido)ethoxy)ethoxy)ethyl)carbamate | 1202573-39-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: tert-butyl (2-(2-(2-(2-chloro-3-methylquinoline-4-carboxamido)ethoxy)ethoxy)ethyl)carbamate
• CAS: 1202573-39-4
• 化学式: C₂₂H₃₀ClN₃O₅
• 分子量: 451.95
• InChiKey: DASNMXJDGKXMJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  31.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  98.78
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-chloro-3-methyl-4-quinolinecarboxylic acid chloride 、 2-(2-(2-氨基乙氧基)乙氧基)乙基氨基甲酸叔丁酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl (2-(2-(2-(2-chloro-3-methylquinoline-4-carboxamido)ethoxy)ethoxy)ethyl)carbamate
  参考文献：
  名称：

  Bivalent Ligands for the Serotonin 5-HT₃ Receptor

  摘要：

  The serotonin 5-HT3 receptor is a ligand-gated ion channel, which by virtue of its pentameric architecture, can be considered to be an intriguing example of intrinsically multivalent biological receptors. This paper describes a general design approach to the study of multivalency in this multimeric ion channel. Bivalent ligands for 5-HT3 receptor have been designed by linking an arylpiperazine moiety to probes showing. different functional features. Both homobivalent and heterobivalent ligands have shown 5-HT3 receptor affinity in the nanomolar range, providing evidence for the viability of our design approach. Moreover, the high affinity shown by homobivalent ligands suggests that bivalency is a promising approach in 5-HT3 receptor modulation and provides the rational basis for applying the concepts of multivalency to the study of 5-HT3 receptor function.

  DOI：

  10.1021/ml2000388