1-(3-furan-2-yl-5-pyridin-4-yl-4,5-dihydropyrazol-1-yl)ethanone | 1290605-12-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(3-furan-2-yl-5-pyridin-4-yl-4,5-dihydropyrazol-1-yl)ethanone
• 英文别名: 1-(3-(furan-2-yl)-4,5-dihydro-5-(pyridin-4-yl)pyrazol-1-yl)ethanone；1-[5-(furan-2-yl)-3-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 1290605-12-7
• 化学式: C₁₄H₁₃N₃O₂
• 分子量: 255.276
• InChiKey: JKCKPMGEHGPOCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-furan-2-yl-3-pyridin-4-ylpropenone 、 溶剂黄146 在 hydrazine hydrate 作用下， 反应 36.0h， 生成 1-(3-furan-2-yl-5-pyridin-4-yl-4,5-dihydropyrazol-1-yl)ethanone
  参考文献：
  名称：

  Synthesis, cyclooxygenase inhibition, and anti-inflammatory evaluation of novel diarylheterocycles with a central pyrazole, pyrazoline, or pyridine ring

  摘要：

  Five groups of diarylheterocycles with a central pyrazole ring (12a-d), pyrazoline ring (14a-d), or pyridine ring (15a-d, 16a-d and 17a-d) were synthesized and evaluated in vitro for COX-1/COX-2 inhibitory activity and in vivo for anti-inflammatory activity. All compounds that possessed anti-inflammatory activity were assessed for their ulcerogenic liability in comparison with ibuprofen and celecoxib. The pyrazole derivative 12b and the pyrazoline derivative 14b were the least ulcerogenic compounds with relative ulcerogenicities to celecoxib 0.85 and 0.90 respectively.[GRAPHICS].

  DOI：

  10.1007/s00044-015-1327-7

文献信息

• Synthesis, cyclooxygenase inhibition, and anti-inflammatory evaluation of novel diarylheterocycles with a central pyrazole, pyrazoline, or pyridine ring
  作者：Khaled R. A. Abdellatif、Eman K. A. Abdelall、Wael A. A. Fadaly、Gehan M. Kamel

  DOI：10.1007/s00044-015-1327-7

  日期：2015.6

  Five groups of diarylheterocycles with a central pyrazole ring (12a-d), pyrazoline ring (14a-d), or pyridine ring (15a-d, 16a-d and 17a-d) were synthesized and evaluated in vitro for COX-1/COX-2 inhibitory activity and in vivo for anti-inflammatory activity. All compounds that possessed anti-inflammatory activity were assessed for their ulcerogenic liability in comparison with ibuprofen and celecoxib. The pyrazole derivative 12b and the pyrazoline derivative 14b were the least ulcerogenic compounds with relative ulcerogenicities to celecoxib 0.85 and 0.90 respectively.[GRAPHICS].