N'-(5-fluoro-2-oxoindol-3-yl)-4-methoxybenzohydrazide | 1314116-70-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N'-(5-fluoro-2-oxoindol-3-yl)-4-methoxybenzohydrazide
• CAS: 1314116-70-5
• 化学式: C₁₆H₁₂FN₃O₃
• 分子量: 313.288
• InChiKey: WAUYOFHOFJDNGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  79.79
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  吗啉 、 聚合甲醛 、 N'-(5-fluoro-2-oxoindol-3-yl)-4-methoxybenzohydrazide 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[[5-fluoro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]-4-methoxybenzamide
  参考文献：
  名称：

  Identification and synthesis of N′-(2-oxoindolin-3-ylidene)hydrazide derivatives against c-Met kinase

  摘要：

  A series of N'-(2-oxoindolin-3-ylidene)hydrazide derivatives were identified as moderately potent inhibitors against c-Met kinase by pharmacophore-based virtual screening and chemical synthesis methods. The structure-activity relationship (SAR) at various positions of the scaffold was investigated and its binding mode with c-Met kinase was analyzed by molecular modeling studies. In this study, two potent compounds D2 and D25, with IC50 value at 1.3 mu M and 2.2 mu M against c-Met kinase respectively, were identified. Finally, based on the clues extracted from this study, future development for the optimization of this scaffold was discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.064
• 作为产物：
  描述：

  5-氟靛红 、 对甲氧基苯甲酰肼 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 0.33h， 生成 N'-(5-fluoro-2-oxoindol-3-yl)-4-methoxybenzohydrazide
  参考文献：
  名称：

  Identification and synthesis of N′-(2-oxoindolin-3-ylidene)hydrazide derivatives against c-Met kinase

  摘要：

  A series of N'-(2-oxoindolin-3-ylidene)hydrazide derivatives were identified as moderately potent inhibitors against c-Met kinase by pharmacophore-based virtual screening and chemical synthesis methods. The structure-activity relationship (SAR) at various positions of the scaffold was investigated and its binding mode with c-Met kinase was analyzed by molecular modeling studies. In this study, two potent compounds D2 and D25, with IC50 value at 1.3 mu M and 2.2 mu M against c-Met kinase respectively, were identified. Finally, based on the clues extracted from this study, future development for the optimization of this scaffold was discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.064