tert-butyl N-[7-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]heptyl]carbamate | 1202573-32-7

• 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 N-[7-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]heptyl]carbamate
• CAS: 1202573-32-7
• 化学式: C₂₈H₄₃N₅O₃
• 分子量: 497.681
• InChiKey: PWYWGJDVCMKQQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  86.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[7-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]heptyl]carbamate 在 palladium 10% on activated carbon 、 氢气 、 三氟乙酸 作用下， 以 乙醇 、 氯仿 为溶剂， 生成 2-[7-[[3-Methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]heptylcarbamoylamino]acetic acid
  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

文献信息

• Bivalent Ligands for the Serotonin 5-HT₃ Receptor
  作者：Andrea Cappelli、Monica Manini、Marco Paolino、Andrea Gallelli、Maurizio Anzini、Laura Mennuni、Marta Del Cadia、Francesca De Rienzo、M. Cristina Menziani、Salvatore Vomero

  DOI：10.1021/ml2000388

  日期：2011.8.11

  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.