7-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]chromen-2-one | 1253932-01-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]chromen-2-one
• CAS: 1253932-01-2
• 化学式: C₁₈H₁₂O₅
• 分子量: 308.29
• InChiKey: ANEOHHSXEAQUBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-hydroxy-2-oxo-2H-chromene-4-carbaldehyde 、 1-(4-Hydroxyphenyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 7-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]chromen-2-one
  参考文献：
  名称：

  Synthesis and biological evaluation of novel coumarin-based inhibitors of Cdc25 phosphatases

  摘要：

  The cell division cycle 25 (Cdc25) family of proteins are dual specificity phosphatases that activate cyclin-dependent kinase (CDK) complexes, which in turn regulate progression through the cell division cycle. Overexpression of Cdc25 proteins has been reported in a wide variety of cancers; their inhibition may thus represent a novel approach for the development of anticancer therapeutics. Herein we report new coumarin-based scaffolds endowed with a selective inhibition against Cdc25A and Cdc25C, being 6a and 6d the most efficient inhibitors and worthy of further investigation as anticancer agents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.130

文献信息

• Synthesis and biological evaluation of novel coumarin-based inhibitors of Cdc25 phosphatases
  作者：Sergio Valente、Emilie Bana、Elodie Viry、Denyse Bagrel、Gilbert Kirsch

  DOI：10.1016/j.bmcl.2010.07.130

  日期：2010.10

  The cell division cycle 25 (Cdc25) family of proteins are dual specificity phosphatases that activate cyclin-dependent kinase (CDK) complexes, which in turn regulate progression through the cell division cycle. Overexpression of Cdc25 proteins has been reported in a wide variety of cancers; their inhibition may thus represent a novel approach for the development of anticancer therapeutics. Herein we report new coumarin-based scaffolds endowed with a selective inhibition against Cdc25A and Cdc25C, being 6a and 6d the most efficient inhibitors and worthy of further investigation as anticancer agents. (C) 2010 Elsevier Ltd. All rights reserved.