6-amino-4-(furan-2-yl)-1-phenyl-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | 443886-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-amino-4-(furan-2-yl)-1-phenyl-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• 英文别名: 6-amino-4-(furan-2-yl)-1-phenyl-3-(trifluoromethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
• CAS: 443886-44-0
• 化学式: C₁₈H₁₁F₃N₄O₂
• 分子量: 372.306
• InChiKey: ANUPCKARLVDAKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  90
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  糠醛 、 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol 、 丙二腈 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以83%的产率得到6-amino-4-(furan-2-yl)-1-phenyl-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
  参考文献：
  名称：

  Synthesis, cytotoxic, and DNA binding studies of novel fluorinated condensed pyrano pyrazoles

  摘要：

  One pot solvent-free synthetic method is developed for the synthesis of novel pyrano[2,3-c]pyrazole analogs. Cytotoxicity experiments conducted against a pair of cancerous, non-cancerous lung cell lines, and a cervical cell line is described. These compounds are selectively toxic against cancer cells and not normal cells. Molecular mechanism is established for the mode of DNA binding of these compounds using electrochemical and proton NMR methods.

  DOI：

  10.1007/s00044-012-0239-z

文献信息

• Synthesis, cytotoxic, and DNA binding studies of novel fluorinated condensed pyrano pyrazoles
  作者：S. Bhavanarushi、V. Kanakaiah、E. Yakaiah、V. Saddanapu、A. Addlagatta、J. Vatsala Rani

  DOI：10.1007/s00044-012-0239-z

  日期：2013.5

  One pot solvent-free synthetic method is developed for the synthesis of novel pyrano[2,3-c]pyrazole analogs. Cytotoxicity experiments conducted against a pair of cancerous, non-cancerous lung cell lines, and a cervical cell line is described. These compounds are selectively toxic against cancer cells and not normal cells. Molecular mechanism is established for the mode of DNA binding of these compounds using electrochemical and proton NMR methods.