2-amino-4-(furan-2-yl)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-pyridin-3-carbonitrile | 1228758-68-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-amino-4-(furan-2-yl)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-pyridin-3-carbonitrile
• 英文别名: 2-Amino-4-(furan-2-yl)-6-(4-hydroxy-2-oxochromen-3-yl)pyridine-3-carbonitrile；2-amino-4-(furan-2-yl)-6-(4-hydroxy-2-oxochromen-3-yl)pyridine-3-carbonitrile
• CAS: 1228758-68-6
• 化学式: C₁₉H₁₁N₃O₄
• 分子量: 345.314
• InChiKey: JYZRXNDOZPWQMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-Hydroxy-3-<3-furyl-(2)-acryloyl>-cumarin 、 丙二腈 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 以69%的产率得到2-amino-4-(furan-2-yl)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-pyridin-3-carbonitrile
  参考文献：
  名称：

  Synthesis, anticoagulant and PIVKA-II induced by new 4-hydroxycoumarin derivatives

  摘要：

  The action of the coumarin-type drugs and related compounds is reviewed to their VKOR antagonistic effects. In our study, twenty 3-pyridinyl, pyrimidinyl and pyrazolyl-4-hydroxycoumarin derivatives were synthesized. A comparative in vivo (CT, PT determination) and in vitro ( measurement of PIVKA-II levels) anticoagulant study with respect to warfarin showed that the synthesized compounds have different anticoagulant activities, the most prospective compounds were the 3-pyrazolyl-4-hydroxycoumarin derivatives. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.04.009

文献信息

• Synthesis, anticoagulant and PIVKA-II induced by new 4-hydroxycoumarin derivatives
  作者：Omaima M. Abdelhafez、Kamelia M. Amin、Rasha Z. Batran、Timothy J. Maher、Somaia A. Nada、Shalini Sethumadhavan

  DOI：10.1016/j.bmc.2010.04.009

  日期：2010.5

  The action of the coumarin-type drugs and related compounds is reviewed to their VKOR antagonistic effects. In our study, twenty 3-pyridinyl, pyrimidinyl and pyrazolyl-4-hydroxycoumarin derivatives were synthesized. A comparative in vivo (CT, PT determination) and in vitro ( measurement of PIVKA-II levels) anticoagulant study with respect to warfarin showed that the synthesized compounds have different anticoagulant activities, the most prospective compounds were the 3-pyrazolyl-4-hydroxycoumarin derivatives. (C) 2010 Elsevier Ltd. All rights reserved.