N'-(3-Benzofuran-2-yl-6,7-dichloro-quinoxalin-2-yl)-N,N-diethyl-butane-1,4-diamine | 239095-01-3

• 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: N'-(3-Benzofuran-2-yl-6,7-dichloro-quinoxalin-2-yl)-N,N-diethyl-butane-1,4-diamine
• 英文别名: 1,4-Butanediamine, N'-(3-(2-benzofuranyl)-6,7-dichloro-2-quinoxalinyl)-N,N-diethyl-；N-[3-(1-benzofuran-2-yl)-6,7-dichloroquinoxalin-2-yl]-N',N'-diethylbutane-1,4-diamine
• CAS: 239095-01-3
• 化学式: C₂₄H₂₆Cl₂N₄O
• 分子量: 457.403
• InChiKey: XBPBJDFJAWKYCK-UHFFFAOYSA-N

物化性质

• 沸点：
  605.2±55.0 °C(Predicted)
• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,3-二羟基-6,7-二氯喹喔啉 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 五溴化磷 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 N'-(3-Benzofuran-2-yl-6,7-dichloro-quinoxalin-2-yl)-N,N-diethyl-butane-1,4-diamine
  参考文献：
  名称：

  Synthesis and structure–Activity relationship of 2-amino-3-heteroaryl-quinoxalines as non-peptide, small-Molecule antagonists for interleukin-8 receptor

  摘要：

  Interleukin-8 modulation is implicated in many inflammatory and cancer diseases. Starting from a mass-screening hit, the synthesis and structure-activity relationship of 2-amino-3-heteroarylquinoxalines as non-peptide, small molecule interleukine-8 receptor antagonists have been developed. The optimized derivatives, PD 0210293 (13y) and PD 0220245 (13r), show inhibition of both IL-8 receptor binding and IL-8-mediated neutrophil chemotaxis. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00399-7

文献信息

• US6548499B1
  申请人：——

  公开号：US6548499B1

  公开（公告）日：2003-04-15
• Synthesis and structure–Activity relationship of 2-amino-3-heteroaryl-quinoxalines as non-peptide, small-Molecule antagonists for interleukin-8 receptor
  作者：Jie Jack Li、Kenneth G Carson、Bharat K Trivedi、Wen Song Yue、Qing Ye、Roberta A Glynn、Steven R Miller、David T Connor、Bruce D Roth、Jay R Luly、Joseph E Low、David J Heilig、Weixing Yang、Shixin Qin、Stephen Hunt

  DOI：10.1016/s0968-0896(03)00399-7

  日期：2003.8

  Interleukin-8 modulation is implicated in many inflammatory and cancer diseases. Starting from a mass-screening hit, the synthesis and structure-activity relationship of 2-amino-3-heteroarylquinoxalines as non-peptide, small molecule interleukine-8 receptor antagonists have been developed. The optimized derivatives, PD 0210293 (13y) and PD 0220245 (13r), show inhibition of both IL-8 receptor binding and IL-8-mediated neutrophil chemotaxis. (C) 2003 Elsevier Ltd. All rights reserved.