3,3'-((3-hydroxyphenyl) methylene)bis(6-chloro-4-hydroxy-2H-chromen-2-one) | 913332-57-7

• 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: 3,3'-((3-hydroxyphenyl) methylene)bis(6-chloro-4-hydroxy-2H-chromen-2-one)
• 英文别名: 6-Chloro-3-[(6-chloro-4-hydroxy-2-oxochromen-3-yl)-(3-hydroxyphenyl)methyl]-4-hydroxychromen-2-one
• CAS: 913332-57-7
• 化学式: C₂₅H₁₄Cl₂O₇
• 分子量: 497.288
• InChiKey: KTRWQNKRXAWKEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-氯-4-羟基香豆素 、 间羟基苯甲醛 在 三乙胺氢溴酸盐 作用下， 以 水 为溶剂， 以82%的产率得到3,3'-((3-hydroxyphenyl) methylene)bis(6-chloro-4-hydroxy-2H-chromen-2-one)
  参考文献：
  名称：

  Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton

  摘要：

  In our effort directed toward the discovery of new anti-diabetic agent for the treatment of diabetes, a library of biscoumarin derivative 1-18 was synthesized and evaluated for alpha-glucosidase inhibitory potential. All eighteen (18) compounds displayed assorted alpha-glucosidase activity with IC50 values 16.5 -385.9 mu M, if compared with the standard acarbose (IC50 = 906 +/- 6.387 mu M). In addition, molecular docking studies were carried out to explore the binding interactions of biscoumarin derivatives with the enzyme. This study has identified a new class of potent alpha-glucosidase inhibitors. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.05.010

文献信息

• Synthesis and molecular docking studies of potent α-glucosidase inhibitors based on biscoumarin skeleton
  作者：Khalid Mohammed Khan、Fazal Rahim、Abdul Wadood、Naveen Kosar、Muhammad Taha、Salima Lalani、Aisha Khan、Muhammad Imran Fakhri、Muhammad Junaid、Wajid Rehman、Momin Khan、Shahnaz Perveen、Muhammad Sajid、M. Iqbal Choudhary

  DOI：10.1016/j.ejmech.2014.05.010

  日期：2014.6

  In our effort directed toward the discovery of new anti-diabetic agent for the treatment of diabetes, a library of biscoumarin derivative 1-18 was synthesized and evaluated for alpha-glucosidase inhibitory potential. All eighteen (18) compounds displayed assorted alpha-glucosidase activity with IC50 values 16.5 -385.9 mu M, if compared with the standard acarbose (IC50 = 906 +/- 6.387 mu M). In addition, molecular docking studies were carried out to explore the binding interactions of biscoumarin derivatives with the enzyme. This study has identified a new class of potent alpha-glucosidase inhibitors. (C) 2014 Elsevier Masson SAS. All rights reserved.
• Bis-(Coumarin) Compounds With Anti-Inflammatory Activity
  申请人：Mercep Mladen

  公开号：US20080153872A1

  公开（公告）日：2008-06-26

  Certain bis-(coumarin) compounds as well as the products of their intramolecular cyclization including pharmaceutically acceptable salts, hydrates, solvates, clathrates, prodrugs, tautomers and stereoisomers thereof are disclosed. Certain processes and intermediates for the preparation of certain bis-(coumarin) compounds, as well as for the use of these compounds as therapeutically active agents in the prophylaxis and treatment of asthma and other inflammatory diseases and conditions in mammals, especially humans are also disclosed.
• Rahim, Fazal; Samreen; Ullah, Hayat, Journal of the Chemical Society of Pakistan, 2017, vol. 39, # 1, p. 79 - 82
  作者：Rahim, Fazal、Samreen、Ullah, Hayat、Fakhri, Muhammad Imran、Salar, Uzma、Perveen, Shahnaz、Khan, Khalid Mohammed、Choudhary, M. Iqbal

  DOI：——

  日期：——