1-[(3,4-二氟苯基)甲基]-3-(7-羟基萘-1-基)脲 | 648420-34-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-[(3,4-二氟苯基)甲基]-3-(7-羟基萘-1-基)脲
• 英文名称: 1-(3,4-Difluoro-benzyl)-3-(7-hydroxy-naphthalen-1-yl)-urea
• 英文别名: 1-(3,4-Difluorobenzyl)-3-(7-hydroxy-1-naphthyl)urea；1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea
• CAS: 648420-34-2
• 化学式: C₁₈H₁₄F₂N₂O₂
• 分子量: 328.318
• InChiKey: VKVZYBVXAPIOHR-UHFFFAOYSA-N

物化性质

• 沸点：
  514.0±50.0 °C(Predicted)
• 密度：
  1.409±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  61.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-氨基-7-萘酚 在 碳酸氢钠 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 1-[(3,4-二氟苯基)甲基]-3-(7-羟基萘-1-基)脲
  参考文献：
  名称：

  7-Hydroxynaphthalen-1-yl-urea and -amide antagonists of human vanilloid receptor 1

  摘要：

  A series of structurally simple 7-hydroxynaphthalenyl ureas and amides were discovered to be potent ligands of human vanilloid receptor I (VR1). 1-(7-Hydroxynaphthaten-1-yl)-3-(4-trifluoromethylbenzyl)urea 5f exhibited nanomolar binding affinity (K-i = 1.0 nM) and upon capsaicin challenge, behaved as a potent functional antagonist (IC50 = 4 nM). The synthesis and structure-activity relationships (SARs) for the series are described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.090

文献信息

• 7-Hydroxynaphthalen-1-yl-urea and -amide antagonists of human vanilloid receptor 1
  作者：Mark E. McDonnell、Sui-Po Zhang、Nadia Nasser、Adrienne E. Dubin、Scott L. Dax

  DOI：10.1016/j.bmcl.2003.09.090

  日期：2004.1

  A series of structurally simple 7-hydroxynaphthalenyl ureas and amides were discovered to be potent ligands of human vanilloid receptor I (VR1). 1-(7-Hydroxynaphthaten-1-yl)-3-(4-trifluoromethylbenzyl)urea 5f exhibited nanomolar binding affinity (K-i = 1.0 nM) and upon capsaicin challenge, behaved as a potent functional antagonist (IC50 = 4 nM). The synthesis and structure-activity relationships (SARs) for the series are described. (C) 2003 Elsevier Ltd. All rights reserved.