diethyl 4-oxo-6-<<(phenylamino)carbonyl>amino>-10-propyl-4H-pyrano<3,2-g>quinoline-2,8-dicarboxylate | 114184-14-4

• 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: diethyl 4-oxo-6-<<(phenylamino)carbonyl>amino>-10-propyl-4H-pyrano<3,2-g>quinoline-2,8-dicarboxylate
• 英文别名: diethyl 4-oxo-6-(phenylcarbamoylamino)-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate
• CAS: 114184-14-4
• 化学式: C₂₈H₂₇N₃O₇
• 分子量: 517.538
• InChiKey: CTWCFSFNUXEDBT-UHFFFAOYSA-N

物化性质

• 熔点：
  234 °C
• 沸点：
  633.0±55.0 °C(Predicted)
• 密度：
  1.359±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.29
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  136.83
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  diethyl 4-oxo-6-<<(phenylamino)carbonyl>amino>-10-propyl-4H-pyrano<3,2-g>quinoline-2,8-dicarboxylate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 1.25h， 以44%的产率得到4-oxo-6-<<(phenylamino)carbonyl>amino>-10-propyl-4H-pyrano<3,2-g>quinoline-2,8-dicarboxylic acid
  参考文献：
  名称：

  Predictive structure-activity relationships in a series of pyranoquinoline derivatives. A new primate model for the identification of antiallergic activity

  摘要：

  A new primate model has been developed for the evaluation of antiallergic agents. Compounds are tested for their ability to inhibit anti-IgE induced histamine release from the bronchoalveolar mast cells lavaged from the lungs of Macaca arctoides infected with the parasite Ascaris suum. A number of 6-substituted pyranoquinoline derivatives have been evaluated and the activities were subjected to Hansch analysis. A highly significant correlation with lipophilicity (pi) and Hammett sigma p values was obtained. The relationship was used to predict further compounds for synthesis giving rise to new, potent analogues. Some apparently anomalous results could be explained by differences in the ionization of, or tautomerism in, the quinoline ring.

  DOI：

  10.1021/jm00402a033
• 作为产物：
  描述：

  diethyl 6-amino-4-oxo-10-propyl-4H-pyrano<3,2-g>quinoline-2,8-dicarboxylate 以34%的产率得到
  参考文献：
  名称：

  GOULD, KEN J.;MANNERS, CAROL N.;PAYLING, DAVID W.;SUSCHITZKY, JOHN L.;WEL+, J. MED. CHEM., 31,(1988) N 7, 1445-1453

  摘要：

  DOI：