2,3,5,4'-tetrahydroxy-trans-stilbene | 119229-96-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2,3,5,4'-tetrahydroxy-trans-stilbene
• 英文别名: MAO-A inhibitor 1；6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,2,4-triol
• CAS: 119229-96-8
• 化学式: C₁₄H₁₂O₄
• 分子量: 244.247
• InChiKey: WREAQMXXCUARJD-DAFODLJHSA-N

物化性质

• 沸点：
  486.6±14.0 °C(Predicted)
• 密度：
  1.468±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3,5,4'-四羟基芪 2-O-葡萄糖苷 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 18.0h， 以51%的产率得到2,3,5,4'-tetrahydroxy-trans-stilbene
  参考文献：
  名称：

  TWI671284

  摘要：

  公开号：

文献信息

• Pharmaceutical compound for treating colorectal cancer
  申请人：Everest Pharm. Industrial Co., LTD.

  公开号：US10849861B2

  公开（公告）日：2020-12-01

  A pharmaceutical compound TG1 (2, 3, 5, 4′-tetrahydroxy-trans-stilbene) and a new use for treating colorectal cancer thereof are provided. The pharmaceutical composition of the present invention has the structure of formula shown as below. Each variable in formula I and treating method are detailed in the specification.

  本发明提供了一种药物化合物 TG1（2，3，5，4′-四羟基-反式-二苯乙烯）及其治疗结直肠癌的新用途。本发明的药物组合物具有如下所示的式结构。式Ⅰ中各变量及处理方法详见说明书。
• Five new stilbene glycosides from the roots of <i>Polygonum multiflorum</i>
  作者：Shuo-Guo Li、Li-Li Chen、Xiao-Jun Huang、Bing-Xin Zhao、Ying Wang、Wen-Cai Ye

  DOI：10.1080/10286020.2013.837454

  日期：2013.11.1

  Five new stilbene glycosides (1-5), together with six known ones, were isolated from the roots of Polygonum multiflorum. Their structures were elucidated on the basis of spectroscopic analysis and chemical evidence.
• Stilbenes with Potent Protein Tyrosine Phosphatase-1B Inhibitory Activity from the Roots of <i>Polygonum multiflorum</i>
  作者：Thi-Thuy An Nguyen、Manh Tuan Ha、Se-Eun Park、Jae Sue Choi、Byung Sun Min、Jeong Ah Kim

  DOI：10.1021/acs.jnatprod.9b00777

  日期：2020.2.28

  Seven new stilbene glycosides including three dimers (1-3) and four monomers (4-7) were isolated from the roots of Polygonum multiflorum along with nine previously identified stilbenes (8-16). In addition, two deglucosylated stilbenes, 2a and 3a, were also obtained as new dimeric stilbenes. The structures of the purified phytochemicals were elucidated by interpreting their spectroscopic data (NMR, HRMS, and ECD). To the best of our knowledge, this represents the first isolation of a phenylpropanoid (C-6-C-3) substituted with a stilbene unit (7) from the Polygonaceae family. In an in vitro enzyme assay with human recombinant protein tyrosine phosphatase-1B (PTP1B), compounds 2-5 showed weak PTP1B inhibition with an IC50 value range of 27.4-37.6 mu M, while three deglucosylated stilbenes 2a, 3a, and 8a exhibited IC50 values of 2.1, 1.9, and 12.1 mu M, respectively. The inhibition modes and binding mechanism of selected inhibitors (2a and 3a) were investigated using kinetic methods and molecular docking simulations.
• PHARMACEUTICAL COMPOUND FOR TREATING COLORECTAL CANCER
  申请人：LIAO Se-Chun

  公开号：US20200038340A1

  公开（公告）日：2020-02-06

  A pharmaceutical compound TG1 (2, 3, 5, 4′-tetrahydroxy-trans-stilbene) and a new use for treating colorectal cancer thereof are provided. The pharmaceutical composition of the present invention has the structure of formula shown as below. Each variable in formula I and treating method are detailed in the specification.
• [EN] PHARMACEUTICAL COMPOUND FOR TREATING COLORECTAL CANCER<br/>[FR] COMPOSÉ PHARMACEUTIQUE POUR LE TRAITEMENT DU CANCER COLORECTAL
  申请人：EVEREST PHARM IND CO LTD

  公开号：WO2021016987A1

  公开（公告）日：2021-02-04

  A pharmaceutical compound TG1 (2, 3, 5, 4'-tetrahydroxy-trans-stilbene) and a new use for treating colorectal cancer thereofare provided. The pharmaceutical compound has the structure of formula I. Each variable in formula I and treating method are detailed in the specification.