| 1202573-36-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1202573-36-1
• 化学式: C₁₆H₁₄N₂O₆
• 分子量: 331.286
• InChiKey: NAHUULONCLROIF-XPOOIHDOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.43
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  107.77
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 N-(29-amino-3,6,9,12,15,18,21,24,27-nonaoxanonacosyl)-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide 以 氯仿 为溶剂， 反应 72.0h， 以73%的产率得到benzyl [36-13C]-1-[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-1,33-dioxo-5,8,11,14,17,20,23,26,29-nonaoxa-2,32,34-triazahexatriacontan-36-oate
  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