(2-Benzoyl-benzoyl)-malonsaeurediethylester | 412020-51-0

• 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: (2-Benzoyl-benzoyl)-malonsaeurediethylester
• 英文别名: Diethyl 2-(2-benzoylbenzoyl)propanedioate
• CAS: 412020-51-0
• 化学式: C₂₁H₂₀O₆
• 分子量: 368.386
• InChiKey: BWLHSZBJTHEGJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2-Benzoyl-benzoyl)-malonsaeurediethylester 在 sodium carbonate 作用下， 以 水 为溶剂， 以21%的产率得到ethyl 1-oxo-3-phenyl-1H-indene-2-carboxylate
  参考文献：
  名称：

  1-Oxo-3-aryl-1H-indene-2-carboxylic acid derivatives as selective inhibitors of fibroblast growth factor receptor-1 tyrosine kinase

  摘要：

  Fibroblast growth factor receptor (FGFr) mediated signal transduction is implicated in vascular proliferative diseases and some cancers. We have identified methyl 1-oxo-3-phenyl-1H-indene-2-carboxylic ester as a small molecule inhibitor of the tyrosine kinase activity of FGFr-1, (IC50 = 5.1 mu M). We report here the synthesis and structure-activity studies about this template core. Additionally, screening of this series against a panel of tyrosine kinases shows selective inhibition of FGFr. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10110-x
• 作为产物：
  描述：

  邻苯甲酰苯甲酸 在 氯化亚砜 作用下， 生成 (2-Benzoyl-benzoyl)-malonsaeurediethylester
  参考文献：
  名称：

  1-Oxo-3-aryl-1H-indene-2-carboxylic acid derivatives as selective inhibitors of fibroblast growth factor receptor-1 tyrosine kinase

  摘要：

  Fibroblast growth factor receptor (FGFr) mediated signal transduction is implicated in vascular proliferative diseases and some cancers. We have identified methyl 1-oxo-3-phenyl-1H-indene-2-carboxylic ester as a small molecule inhibitor of the tyrosine kinase activity of FGFr-1, (IC50 = 5.1 mu M). We report here the synthesis and structure-activity studies about this template core. Additionally, screening of this series against a panel of tyrosine kinases shows selective inhibition of FGFr. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10110-x