2-(aminomethyl)-3-(4-ethoxyphenyl)quinazolin-4-one | 944915-57-5

• 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-(aminomethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
• CAS: 944915-57-5
• 化学式: C₁₇H₁₇N₃O₂
• 分子量: 295.341
• InChiKey: UCNOAJMNQCVSRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  70.14
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(aminomethyl)-3-(4-ethoxyphenyl)quinazolin-4-one 在 三乙酰氧基硼氢化钠 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-biphenyl-4-yl-N-(2-ethoxy-ethyl)-N-[3-(4-ethoxy-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-ylmethyl]-acetamide
  参考文献：
  名称：

  Discovery and optimization of a series of quinazolinone-derived antagonists of CXCR3

  摘要：

  A series of quinazolinone-derived inhibitors of the CXCR3 receptor have been synthesized and their affinity for the receptor evaluated. Compounds were evaluated in a I-125-IP10 displacement assay and in in vitro cell migration assays to I P 10, ITAC, and MIG using human peripheral blood mononuclear cells. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.106
• 作为产物：
  描述：

  tert-butyl ((3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)methyl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-(aminomethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
  参考文献：
  名称：

  Discovery and optimization of a series of quinazolinone-derived antagonists of CXCR3

  摘要：

  A series of quinazolinone-derived inhibitors of the CXCR3 receptor have been synthesized and their affinity for the receptor evaluated. Compounds were evaluated in a I-125-IP10 displacement assay and in in vitro cell migration assays to I P 10, ITAC, and MIG using human peripheral blood mononuclear cells. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.106

文献信息

• Discovery and optimization of a series of quinazolinone-derived antagonists of CXCR3
  作者：Michael Johnson、An-Rong Li、Jiwen Liu、Zice Fu、Liusheng Zhu、Shichang Miao、Xuemei Wang、Qingge Xu、Alan Huang、Andrew Marcus、Feng Xu、Karen Ebsworth、Emmanuel Sablan、Jay Danao、Jeff Kumer、Dan Dairaghi、Chris Lawrence、Tim Sullivan、George Tonn、Thomas Schall、Tassie Collins、Julio Medina

  DOI：10.1016/j.bmcl.2007.03.106

  日期：2007.6

  A series of quinazolinone-derived inhibitors of the CXCR3 receptor have been synthesized and their affinity for the receptor evaluated. Compounds were evaluated in a I-125-IP10 displacement assay and in in vitro cell migration assays to I P 10, ITAC, and MIG using human peripheral blood mononuclear cells. (c) 2007 Elsevier Ltd. All rights reserved.