2-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]-3-(tritritiomethyl)quinazolin-4-one | 1186403-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]-3-(tritritiomethyl)quinazolin-4-one
• CAS: 1186403-40-6
• 化学式: C₂₂H₂₅N₃O₂
• 分子量: 369.436
• InChiKey: PRPSMPHMELIHFQ-RLXJOQACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  45.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one 、 甲基碘化物 [3H] 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]-3-(tritritiomethyl)quinazolin-4-one
  参考文献：
  名称：

  Development of a selective and potent radioactive ligand for histamine H3 receptors: A compound potentially useful for receptor occupancy studies

  摘要：

  Radioligands are powerful tools for examining the pharmacological profiles of chemical leads and thus facilitate drug discovery. In this study, we identified and characterized 3-([1,1,1-H-3]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy} phenyl)-4(3H)-quinazolinone ([H-3]1) as a potent and selective radioligand for histamine H-3 receptors. Radioligand [H-3]1 exhibited appreciable specific signal in brain slices prepared from wild-type mice but not from histamine H-3 receptor-deficient mice, demonstrating the specificity and utility of [H-3]1 as a selective histamine H-3 receptor radioligand for ex-vivo receptor occupancy assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.025

文献信息

• Development of a selective and potent radioactive ligand for histamine H3 receptors: A compound potentially useful for receptor occupancy studies
  作者：Yuko Mitobe、Sayaka Ito、Takashi Mizutani、Tsuyoshi Nagase、Nagaaki Sato、Shigeru Tokita

  DOI：10.1016/j.bmcl.2009.06.025

  日期：2009.8

  Radioligands are powerful tools for examining the pharmacological profiles of chemical leads and thus facilitate drug discovery. In this study, we identified and characterized 3-([1,1,1-H-3]methyl)-2-(4-[3-(1-pyrrolidinyl)propyl]oxy} phenyl)-4(3H)-quinazolinone ([H-3]1) as a potent and selective radioligand for histamine H-3 receptors. Radioligand [H-3]1 exhibited appreciable specific signal in brain slices prepared from wild-type mice but not from histamine H-3 receptor-deficient mice, demonstrating the specificity and utility of [H-3]1 as a selective histamine H-3 receptor radioligand for ex-vivo receptor occupancy assays. (C) 2009 Elsevier Ltd. All rights reserved.