rac-N-((1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-N-(1-(2-morpholinoethyl)cyclohexyl)cyclohexanecarboxamide | 1242422-70-3

• 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: rac-N-((1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-N-(1-(2-morpholinoethyl)cyclohexyl)cyclohexanecarboxamide
• 英文别名: N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[1-(2-morpholin-4-ylethyl)cyclohexyl]cyclohexanecarboxamide
• CAS: 1242422-70-3
• 化学式: C₃₀H₄₃N₃O₃
• 分子量: 493.69
• InChiKey: CFAZSYQAAMGBBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  53.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  吗啉 、 在 sodium acetate 、 三乙酰氧基硼氢化钠 作用下， 以 溶剂黄146 为溶剂， 生成 rac-N-((1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-N-(1-(2-morpholinoethyl)cyclohexyl)cyclohexanecarboxamide
  参考文献：
  名称：

  Synthesis and evaluation of a new series of Neuropeptide S receptor antagonists

  摘要：

  Administration of Neuropeptide S (NPS) has been shown to produce arousal, that is, independent of novelty and to induce wakefulness by suppressing all stages of sleep, as demonstrated by EEG recordings in rat. Medicinal chemistry efforts have identified a quinolinone class of potent NPSR antagonists that readily cross the blood-brain barrier. We detail here optimization efforts resulting in the identification of a potent NPSR antagonist which dose-dependently and specifically inhibited (125)I-NPS binding in the CNS when administered to rats. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.143

文献信息

• Synthesis and evaluation of a new series of Neuropeptide S receptor antagonists
  作者：Jeffrey Y. Melamed、Amy E. Zartman、Nathan R. Kett、Anthony L. Gotter、Victor N. Uebele、Duane R. Reiss、Cindra L. Condra、Christine Fandozzi、Laura S. Lubbers、Blake A. Rowe、Georgia B. McGaughey、Martin Henault、Rino Stocco、John J. Renger、George D. Hartman、Mark T. Bilodeau、B. Wesley Trotter

  DOI：10.1016/j.bmcl.2010.04.143

  日期：2010.8

  Administration of Neuropeptide S (NPS) has been shown to produce arousal, that is, independent of novelty and to induce wakefulness by suppressing all stages of sleep, as demonstrated by EEG recordings in rat. Medicinal chemistry efforts have identified a quinolinone class of potent NPSR antagonists that readily cross the blood-brain barrier. We detail here optimization efforts resulting in the identification of a potent NPSR antagonist which dose-dependently and specifically inhibited (125)I-NPS binding in the CNS when administered to rats. (C) 2010 Elsevier Ltd. All rights reserved.