7-Hydroxy-3-(4-hydroxy-phenyl)-4-methyl-cumarin | 5217-89-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 7-Hydroxy-3-(4-hydroxy-phenyl)-4-methyl-cumarin
• 英文别名: 7-hydroxy-3-(4-hydroxy-phenyl)-4-methyl-chromen-2-one；3-(4-hydroxyphenyl)-7-hydroxy-4-methylcoumarin；7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
• CAS: 5217-89-0
• 化学式: C₁₆H₁₂O₄
• 分子量: 268.269
• InChiKey: NWVKVBBNCRPFPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-methoxy-3-(4-methoxy-phenyl)-4-methyl-coumarin 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以70%的产率得到7-Hydroxy-3-(4-hydroxy-phenyl)-4-methyl-cumarin
  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

• Estrogen receptor-&bgr; ligands
  申请人：AstraZeneca AB

  公开号：US06518301B1

  公开（公告）日：2003-02-11

  A method for treating a disease associated with the estrogen receptor-&bgr;, comprising the step of administering a therapeutically-effective amount of a compound that satisfies the equation: (Ki&agr;A/Ki&bgr;A)/(Ki&agr;E/Ki&bgr;E)>1, optionally having the general structure (I).

  一种治疗与雌激素受体-β相关疾病的方法，包括给予满足方程式的化合物的治疗有效量：(KiαA/KiβA)/(KiαE/KiβE)>1，可选地具有一般结构(I)。
• ESTROGEN RECEPTOR-BETA LIGANDS
  申请人：AstraZeneca AB

  公开号：EP1173164A2

  公开（公告）日：2002-01-23
• Compounds exhibiting efflux inhibitor activity and composition and uses thereof
  申请人：Wempe Fitzpatrick Michael

  公开号：US20070254859A1

  公开（公告）日：2007-11-01

  At least one compound chosen from compounds of Formula I: a pharmaceutically acceptable salt or ester thereof, a solvate thereof, a chelate thereof, a non-covalent complex thereof, a prodrug thereof, and mixtures of any of the foregoing, wherein: n is a number from 1 to 900, wherein the individual units may be the same or different; W is chosen from alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl; each of R 2 , R 3 , R 4 and R 5 is independently chosen from —H, alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl; Z′ is chosen from —O—, —N—, —NO—, —NR 4 —, —S—, —SO— and —SO 2 —, wherein R 4 is defined as above; each of X, X′, Y and Z is independently chosen from —CR 4 R 5 —, —NH—, —NR 4 —, —NO—, —O—, —NOR 4 —, —S—, —SO—, —SO 2 —, wherein R 4 and R 5 are defined as above; R 1 is chosen from a tocopherol, a steroid and a flavonoid; and R 6 is chosen from any R 1 , alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl.
• US6518301B1
  申请人：——

  公开号：US6518301B1

  公开（公告）日：2003-02-11
• US7329654B2
  申请人：——

  公开号：US7329654B2

  公开（公告）日：2008-02-12