5-(4-甲氧基苯基)-1-苯基吡唑-4-羧酸 | 936127-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-(4-甲氧基苯基)-1-苯基吡唑-4-羧酸
• 英文名称: 5-(4-Methoxyphenyl)-1-phenyl-1h-pyrazole-4-carboxylic acid
• 英文别名: 5-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
• CAS: 936127-79-6
• 化学式: C₁₇H₁₄N₂O₃
• 分子量: 294.31
• InChiKey: XXBKCJCPBYSWSH-UHFFFAOYSA-N

物化性质

• 沸点：
  481.5±35.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thienthio[3,2-b]pyridine-7-oxy)aniline 、 5-(4-甲氧基苯基)-1-苯基吡唑-4-羧酸 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
  参考文献：
  名称：

  Design, synthesis and RON receptor tyrosine kinase inhibitory activity of new head groups analogs of LCRF-0004

  摘要：

  New heteroarylcarboxamide head groups substituted with two aromatic rings analogs of thieno[3,2-b] pyridine-based kinase inhibitor LCRF-0004 were designed and synthesized. Potent inhibitors of RON tyrosine kinase with various level of selectivity for c-Met RTK were obtained. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.07.080
• 作为产物：
  描述：

  3-(4-甲氧基苯基)-3-氧代丙酸叔丁酯 在 溶剂黄146 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 5-(4-甲氧基苯基)-1-苯基吡唑-4-羧酸
  参考文献：
  名称：

  Design, synthesis and RON receptor tyrosine kinase inhibitory activity of new head groups analogs of LCRF-0004

  摘要：

  New heteroarylcarboxamide head groups substituted with two aromatic rings analogs of thieno[3,2-b] pyridine-based kinase inhibitor LCRF-0004 were designed and synthesized. Potent inhibitors of RON tyrosine kinase with various level of selectivity for c-Met RTK were obtained. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.07.080

文献信息

• Design, synthesis and RON receptor tyrosine kinase inhibitory activity of new head groups analogs of LCRF-0004
  作者：Franck Raeppel、Stéphane L. Raeppel、Eric Therrien

  DOI：10.1016/j.bmcl.2015.07.080

  日期：2015.9

  New heteroarylcarboxamide head groups substituted with two aromatic rings analogs of thieno[3,2-b] pyridine-based kinase inhibitor LCRF-0004 were designed and synthesized. Potent inhibitors of RON tyrosine kinase with various level of selectivity for c-Met RTK were obtained. (C) 2015 Elsevier Ltd. All rights reserved.