1-[3-(furan-2-yl)-4,5-dihydro-5-(4-N,N-dimethylaminophenyl)-pyrazol-1-yl]ethanone | 685132-33-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-[3-(furan-2-yl)-4,5-dihydro-5-(4-N,N-dimethylaminophenyl)-pyrazol-1-yl]ethanone
• 英文别名: 1-(5-(4-(dimethylamino)phenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone；1-[3-[4-(dimethylamino)phenyl]-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 685132-33-6
• 化学式: C₁₇H₁₉N₃O₂
• 分子量: 297.357
• InChiKey: VKTBEZYHENTGAR-UHFFFAOYSA-N

物化性质

• 沸点：
  448.3±55.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  49
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-乙酰基呋喃 、 对二甲氨基苯甲醛 在 一水合肼 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 18.0h， 生成 1-[3-(furan-2-yl)-4,5-dihydro-5-(4-N,N-dimethylaminophenyl)-pyrazol-1-yl]ethanone
  参考文献：
  名称：

  Effect of ring A and ring B substitution on the cytotoxic potential of pyrazole tethered chalcones

  摘要：

  Chalcone is an aromatic ketone that forms the central core for a variety of important biological compounds, which are collectively known as chalcones. The cytotoxic potential of chalcones which consists of C-6-C-3-C-6 units gets enhanced by the incorporation of pyrazole ring as proved by our earlier studies. Thus in the present work, pyrazoles of chalcones with ring A substituted by furan, naphthalene and variety of substituted phenyl rings has been prepared and evaluated for in vitro cytotoxic activity against PC-3, OVCAR, IMR-32, HEP-2 human cancer cell lines.All the synthesized compounds were evaluated for in vitro cytotoxicity against PC-3, OVCAR, IMR-32, HEP-2 human cancer cell lines. Compound 68 was found to be the most potent showing broad spectrum of cytotoxicity against all the cell lines .

  DOI：

  10.1007/s00044-011-9824-9

文献信息

• Effect of ring A and ring B substitution on the cytotoxic potential of pyrazole tethered chalcones
  作者：Kunal Nepali、Kanika Kadian、Ritu Ojha、Rajni Dhiman、Atul Garg、Gagandip Singh、Abhishek Buddhiraja、Preet Mohinder Singh Bedi、Kanaya Lal Dhar

  DOI：10.1007/s00044-011-9824-9

  日期：2012.10

  Chalcone is an aromatic ketone that forms the central core for a variety of important biological compounds, which are collectively known as chalcones. The cytotoxic potential of chalcones which consists of C-6-C-3-C-6 units gets enhanced by the incorporation of pyrazole ring as proved by our earlier studies. Thus in the present work, pyrazoles of chalcones with ring A substituted by furan, naphthalene and variety of substituted phenyl rings has been prepared and evaluated for in vitro cytotoxic activity against PC-3, OVCAR, IMR-32, HEP-2 human cancer cell lines.All the synthesized compounds were evaluated for in vitro cytotoxicity against PC-3, OVCAR, IMR-32, HEP-2 human cancer cell lines. Compound 68 was found to be the most potent showing broad spectrum of cytotoxicity against all the cell lines .