6-amino-5-((1,3-diphenyl-1H-pyrazol-4-yl)(6-fluoro-4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione | 1537195-77-9

• 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: 6-amino-5-((1,3-diphenyl-1H-pyrazol-4-yl)(6-fluoro-4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
• 英文别名: 6-Amino-5-[(1,3-diphenylpyrazol-4-yl)-(6-fluoro-4-hydroxy-2-oxochromen-3-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione；6-amino-5-[(1,3-diphenylpyrazol-4-yl)-(6-fluoro-4-hydroxy-2-oxochromen-3-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
• CAS: 1537195-77-9
• 化学式: C₃₁H₂₄FN₅O₅
• 分子量: 565.56
• InChiKey: VWEPSCDMNAFAFD-UHFFFAOYSA-N

物化性质

• 沸点：
  778.3±70.0 °C(predicted)
• 密度：
  1.44±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  42
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-氟-4-羟基香豆素 、 1,3-二甲基-6-氨基脲嘧啶 、 1,3-二苯-1H-吡唑-4-甲醛 以 溶剂黄146 为溶剂， 反应 1.0h， 以84%的产率得到6-amino-5-((1,3-diphenyl-1H-pyrazol-4-yl)(6-fluoro-4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Regioselective synthesis of 3-benzyl substituted pyrimidino chromen-2-ones and evaluation of anti-microbial and anti-biofilm activities

  摘要：

  Regioselective synthesis of a number of highly functionalized 3-benzylpyrimidino chromen-2-ones (4) were accomplished in a one pot three component reaction in acetic acid and determined their anti-microbial and anti-biofilm activities. Compounds 4o and 4p showed an excellent anti-microbial activity against Micrococcus luteus MTCC 2470 at a par with standard control (Ciprofloxacin) and exhibited best activity against Staphylococcus aureus MTCC 96 and Bacillus subtilis MTCC 121. Further, compounds 4h, 4i, 4m, 4n and 4q showed promising activity against Micrococcus luteus MTCC 2470, Staphylococcus aureus MTCC 96 and Bacillus subtilis MTCC 121. Whereas, compounds 4m showed very promising biofilm inhibition activity against Staphylococcus aureus MLS 16 MTCC 2940 and 4o, 4p showed very potent activity against Staphylococcus aureus MTCC 96 at a par with Ciprofloxacin used as standard control. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.12.038

文献信息

• Regioselective synthesis of 3-benzyl substituted pyrimidino chromen-2-ones and evaluation of anti-microbial and anti-biofilm activities
  作者：Narender Reddy Emmadi、Krishnaiah Atmakur、Chiranjeevi Bingi、Narender Reddy Godumagadda、Ganesh Kumar Chityal、Jagadeesh Babu Nanubolu

  DOI：10.1016/j.bmcl.2013.12.038

  日期：2014.1

  Regioselective synthesis of a number of highly functionalized 3-benzylpyrimidino chromen-2-ones (4) were accomplished in a one pot three component reaction in acetic acid and determined their anti-microbial and anti-biofilm activities. Compounds 4o and 4p showed an excellent anti-microbial activity against Micrococcus luteus MTCC 2470 at a par with standard control (Ciprofloxacin) and exhibited best activity against Staphylococcus aureus MTCC 96 and Bacillus subtilis MTCC 121. Further, compounds 4h, 4i, 4m, 4n and 4q showed promising activity against Micrococcus luteus MTCC 2470, Staphylococcus aureus MTCC 96 and Bacillus subtilis MTCC 121. Whereas, compounds 4m showed very promising biofilm inhibition activity against Staphylococcus aureus MLS 16 MTCC 2940 and 4o, 4p showed very potent activity against Staphylococcus aureus MTCC 96 at a par with Ciprofloxacin used as standard control. (C) 2013 Elsevier Ltd. All rights reserved.