2,6-bis(4-chlorophenyl)-5-(2-(2-hydroxyethoxy)ethyl)pyrazolo[1,5-a]pyrazin-4(5H)-one | 1314756-52-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,6-bis(4-chlorophenyl)-5-(2-(2-hydroxyethoxy)ethyl)pyrazolo[1,5-a]pyrazin-4(5H)-one
• 英文别名: 2,6-Bis(4-chlorophenyl)-5-[2-(2-hydroxyethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
• CAS: 1314756-52-9
• 化学式: C₂₂H₁₉Cl₂N₃O₃
• 分子量: 444.317
• InChiKey: JYWADKHQFKNBNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 3-(4-chlorophenyl)-1-(2-(4-chlorophenyl)-2-oxoethyl)-1H-pyrazole-5-carboxylate 、 二甘醇胺 反应 0.07h， 以78%的产率得到2,6-bis(4-chlorophenyl)-5-(2-(2-hydroxyethoxy)ethyl)pyrazolo[1,5-a]pyrazin-4(5H)-one
  参考文献：
  名称：

  Synthesis of novel pyrazolo[1,5- a ]pyrazin-4(5 H )-one derivatives and their inhibition against growth of A549 and H322 lung cancer cells

  摘要：

  A series of substituted pyrazolo[1,5-a]pyrazin-4(5H)-one was synthesized by the reaction of ethyl 1-(2-oxo-2-phenylethyl)-3-phenyl-1H-pyrazole-5-carboxylate derivatives and 2-(2-aminoethoxy) ethanol or 2-morpholinoethanamine in the condition of microwave-assisted one-step and solvent-free in a good yield. The structures of the compounds were determined by IR, (1)H NMR and mass spectroscopy. In addition, a representative single-crystal structure was characterized by using X-ray diffraction analysis. Preliminary biological evaluation showed that the compounds could inhibit the growth of A549 and H322 cells in dosage-dependent manners. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.035

文献信息

• Synthesis of novel pyrazolo[1,5- a ]pyrazin-4(5 H )-one derivatives and their inhibition against growth of A549 and H322 lung cancer cells
  作者：Liang-Wen Zheng、Jin-Hui Shao、Bao-Xiang Zhao、Jun-Ying Miao

  DOI：10.1016/j.bmcl.2011.05.035

  日期：2011.7

  A series of substituted pyrazolo[1,5-a]pyrazin-4(5H)-one was synthesized by the reaction of ethyl 1-(2-oxo-2-phenylethyl)-3-phenyl-1H-pyrazole-5-carboxylate derivatives and 2-(2-aminoethoxy) ethanol or 2-morpholinoethanamine in the condition of microwave-assisted one-step and solvent-free in a good yield. The structures of the compounds were determined by IR, (1)H NMR and mass spectroscopy. In addition, a representative single-crystal structure was characterized by using X-ray diffraction analysis. Preliminary biological evaluation showed that the compounds could inhibit the growth of A549 and H322 cells in dosage-dependent manners. (C) 2011 Elsevier Ltd. All rights reserved.