Imidazole-1-carboxylic acid (3-fluoro-phenyl)-amide | 102422-27-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Imidazole-1-carboxylic acid (3-fluoro-phenyl)-amide
• 英文别名: N-(3-fluorophenyl)imidazole-1-carboxamide
• CAS: 102422-27-5
• 化学式: C₁₀H₈FN₃O
• 分子量: 205.191
• InChiKey: HAYQIMMDIYNHOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 Imidazole-1-carboxylic acid (3-fluoro-phenyl)-amide 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 4-((3-chloro-5-(3-(3-fluorophenyl)ureido)-1H-indol-1-yl)methyl)-N-methylpicolinamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of indole derivatives as novel inhibitors targeting B-Raf kinase

  摘要：

  A series of novel indole derivatives were designed and synthesized and their inhibitory activity against B-Raf and HepG2 cell were also described. Among them, compounds 7a and 7b exhibited excellent potency, which showed the potential for further research as lead compounds. (C) 2013 Wei-Fang Tang and Tao Lu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.11.006
• 作为产物：
  描述：

  3-氟苯胺 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 Imidazole-1-carboxylic acid (3-fluoro-phenyl)-amide
  参考文献：
  名称：

  芳基偶氮化物和磺酸盐使白细胞弹性蛋白酶失活。构效关系研究。

  摘要：

  报道了一系列的芳基偶氮化物和磺酸盐对人白细胞弹性蛋白酶的抑制活性。发现几种化合物是该酶的有效抑制剂。仅当特异性基团和反应性部分被两条碳链隔开时，才获得活性化合物。除磺酸盐以外，疏水基团的引入增强了这些化合物的抑制活性。离去基团的性质对抑制活性有深远的影响，化合物23和26的活性最高（分别为kobsd / [I] = 11,722和13,500 M-1 s-1）。

  DOI：

  10.1021/jm00157a034

文献信息

• Inactivation of leukocyte elastase by aryl azolides and sulfonate salts. Structure-activity relationship studies
  作者：W. C. Groutas、M. J. Brubaker、M. E. Zandler、V. Mazo-Gray、S. A. Rude、J. P. Crowley、J. C. Castrisos、D. A. Dunshee、P. K. Giri

  DOI：10.1021/jm00157a034

  日期：1986.7

  The inhibitory activity of a series of aryl azolides and sulfonate salts toward human leukocyte elastase is reported. Several of the compounds were found to be potent inhibitors of the enzyme. Active compounds were obtained only when the specificity group and the reactive moiety were separated by a two-carbon chain. The introduction of hydrophobic groups enhanced the inhibitory activity of these compounds

  报道了一系列的芳基偶氮化物和磺酸盐对人白细胞弹性蛋白酶的抑制活性。发现几种化合物是该酶的有效抑制剂。仅当特异性基团和反应性部分被两条碳链隔开时，才获得活性化合物。除磺酸盐以外，疏水基团的引入增强了这些化合物的抑制活性。离去基团的性质对抑制活性有深远的影响，化合物23和26的活性最高（分别为kobsd / [I] = 11,722和13,500 M-1 s-1）。
• Design, synthesis and biological evaluation of indole derivatives as novel inhibitors targeting B-Raf kinase
  作者：Zeng Wu、Ming Yan、Shi-He Hu、Zhi-Cheng Yu、Yong Zhu、Ya-Dong Cheng、Hai-Chun Liu、Yan-Min Zhang、Si-Hui Yao、Wei-Fang Tang、Tao Lu

  DOI：10.1016/j.cclet.2013.11.006

  日期：2014.2

  A series of novel indole derivatives were designed and synthesized and their inhibitory activity against B-Raf and HepG2 cell were also described. Among them, compounds 7a and 7b exhibited excellent potency, which showed the potential for further research as lead compounds. (C) 2013 Wei-Fang Tang and Tao Lu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.