4-[[1-[(2,6-Difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid | 1345869-85-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[[1-[(2,6-Difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
• 英文别名: 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
• CAS: 1345869-85-3
• 化学式: C₂₄H₁₇F₂N₃O₅
• 分子量: 465.413
• InChiKey: LNMGGVDQRBIPSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-[[1-[(2,6-Difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid 在 氢溴酸 、 溶剂黄146 作用下， 以 水 为溶剂， 生成 4-[[1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationship studies of dihydronaphthyridinediones as a novel structural class of potent and selective PDE7 inhibitors

  摘要：

  The synthesis and SAR studies of a series of structurally novel inhibitors of PDE7 are discussed. The best compounds from the series display low nanomolar inhibitory activity and are selective versus other PDE isoenzymes. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.065
• 作为产物：
  描述：

  5-氨基-2-甲氧基吡啶 在 二苯醚 、 水 、 potassium carbonate 、 三乙胺 、 potassium hydroxide 、 氯甲酸异丁酯 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[[1-[(2,6-Difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationship studies of dihydronaphthyridinediones as a novel structural class of potent and selective PDE7 inhibitors

  摘要：

  The synthesis and SAR studies of a series of structurally novel inhibitors of PDE7 are discussed. The best compounds from the series display low nanomolar inhibitory activity and are selective versus other PDE isoenzymes. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.065

文献信息

• Synthesis and structure–activity relationship studies of dihydronaphthyridinediones as a novel structural class of potent and selective PDE7 inhibitors
  作者：Rainer Gewald、Carla Rueger、Christian Grunwald、Ute Egerland、Norbert Hoefgen

  DOI：10.1016/j.bmcl.2011.09.065

  日期：2011.11

  The synthesis and SAR studies of a series of structurally novel inhibitors of PDE7 are discussed. The best compounds from the series display low nanomolar inhibitory activity and are selective versus other PDE isoenzymes. (C) 2011 Elsevier Ltd. All rights reserved.