1-[(4-aminophenyl)methyl]-7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide | 1345734-13-5

• 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: 1-[(4-aminophenyl)methyl]-7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
• CAS: 1345734-13-5
• 化学式: C₃₀H₂₅FN₄O₃
• 分子量: 508.552
• InChiKey: XHZSRUHIOFWCEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对氨基苯甲醛 在 dimethyl sulfide borane 、 sodium ethanolate 、 溶剂黄146 作用下， 以 乙醇 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 1-[(4-aminophenyl)methyl]-7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
  参考文献：
  名称：

  Combining symmetry elements results in potent naphthyridinone (NTD) HIV-1 integrase inhibitors

  摘要：

  A series of naphthyridinone HIV-1 integrase strand-transfer inhibitors have been designed based on a psdeudo-C2 symmetry element present in the two-metal chelation pharmacophore. A combination of two distinct inhibitor binding modes resulted in potent inhibition of the integrase strand-transfer reaction in the low nM range. Effects of aryl and N1 substitutions are disclosed including the impact on protein binding adjusted antiviral activity. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.08.082

文献信息

• Combining symmetry elements results in potent naphthyridinone (NTD) HIV-1 integrase inhibitors
  作者：Brian A. Johns、Takashi Kawasuji、Jason G. Weatherhead、Eric E. Boros、James B. Thompson、Edward P. Garvey、Scott A. Foster、Jerry L. Jeffrey、Wayne H. Miller、Noriyuki Kurose、Kenichi Matsumura、Tamio Fujiwara

  DOI：10.1016/j.bmcl.2011.08.082

  日期：2011.11

  A series of naphthyridinone HIV-1 integrase strand-transfer inhibitors have been designed based on a psdeudo-C2 symmetry element present in the two-metal chelation pharmacophore. A combination of two distinct inhibitor binding modes resulted in potent inhibition of the integrase strand-transfer reaction in the low nM range. Effects of aryl and N1 substitutions are disclosed including the impact on protein binding adjusted antiviral activity. (C) 2011 Published by Elsevier Ltd.