3,3'-((2-nitrophenyl)methylene)bis(6-chloro-4-hydroxy-2Hchromen-2-one) | 1615739-55-3

• 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'-((2-nitrophenyl)methylene)bis(6-chloro-4-hydroxy-2Hchromen-2-one)
• 英文别名: 6-Chloro-3-[(6-chloro-4-hydroxy-2-oxochromen-3-yl)-(2-nitrophenyl)methyl]-4-hydroxychromen-2-one；6-chloro-3-[(6-chloro-4-hydroxy-2-oxochromen-3-yl)-(2-nitrophenyl)methyl]-4-hydroxychromen-2-one
• CAS: 1615739-55-3
• 化学式: C₂₅H₁₃Cl₂NO₈
• 分子量: 526.286
• InChiKey: DSDHNWDRKPYEBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  36
• 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：
  139
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-氯-4-羟基香豆素 、 邻硝基苯甲醛 在 三乙胺氢溴酸盐 作用下， 以 水 为溶剂， 以80%的产率得到3,3'-((2-nitrophenyl)methylene)bis(6-chloro-4-hydroxy-2Hchromen-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.
• 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：——