6-hydroxy-2-(3,4-dimethoxyphenyl)-4H-chromen-4-one | 63046-10-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 6-hydroxy-2-(3,4-dimethoxyphenyl)-4H-chromen-4-one
• 英文别名: 2-(3,4-dimethoxyphenyl)-6-hydroxychromen-4-one；2-(3,4-dimethoxy-phenyl)-6-hydroxy-chromen-4-one；6-Hydroxy-3',4'-dimethoxyflavone；2-(3,4-dimethoxyphenyl)-6-hydroxy-4H-chromen-4-one
• CAS: 63046-10-6
• 化学式: C₁₇H₁₄O₅
• 分子量: 298.295
• InChiKey: ULUDISFZSFUHPL-UHFFFAOYSA-N

物化性质

• 沸点：
  501.5±50.0 °C(Predicted)
• 密度：
  1.321±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  杂氮环丁烷 、 聚合甲醛 、 6-hydroxy-2-(3,4-dimethoxyphenyl)-4H-chromen-4-one 以 乙醇 、 水 为溶剂， 以34%的产率得到6-hydroxy-2-(3,4-dimethoxyphenyl)-5-(azetidin-1-ylmethyl)-4H-chromen-4-one
  参考文献：
  名称：

  Identification of inhibitors targeting polyketide synthase 13 of Mycobacterium tuberculosis as antituberculosis drug leads

  摘要：

  DOI：

  10.1016/j.bioorg.2021.105110
• 作为产物：
  描述：

  3,4-二甲氧基苯甲酸甲酯 在 硫酸 、 溶剂黄146 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 生成 6-hydroxy-2-(3,4-dimethoxyphenyl)-4H-chromen-4-one
  参考文献：
  名称：

  Identification of inhibitors targeting polyketide synthase 13 of Mycobacterium tuberculosis as antituberculosis drug leads

  摘要：

  DOI：

  10.1016/j.bioorg.2021.105110

文献信息

• Methods, compositions, and uses of novel Fyn kinase inhibitors
  申请人：Lau Warren C.

  公开号：US10688093B2

  公开（公告）日：2020-06-23

  The present invention provides methods for inhibiting Fyn kinase, using 5-3-pyridin-2-amine, 6-3-imidazo[1,2-a] pyrazine, 6-3-imidazo[1,2-b] pyridazine, N-(5-imidazo [2,1-b][1,3,4] thiadiazol-2-yl)-amine, 4-3-1H-pyrazolo[3,4-b] pyridine, and N-(3-imidazo [1,2-b] pyridazin-6-yl) amine compounds and methods of treatment, prevention, inhibition or amelioration of diseases and conditions associated with Fyn kinase using such compounds.

  本发明提供了使用 5-3-吡啶-2-胺、6-3-咪唑并[1,2-a]吡嗪、6-3-咪唑并[1,2-b]哒嗪、N-(5-咪唑并[2,1-b][1,3,4]噻二唑-2-基)胺、4-3-1H-吡唑并[3、4-b]吡啶和 N-(3-咪唑并[1,2-b]哒嗪-6-基)胺化合物，以及使用此类化合物治疗、预防、抑制或改善与 Fyn 激酶相关的疾病和病症的方法。
• METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS
  申请人：Lau, Warren C.

  公开号：EP3347462A1

  公开（公告）日：2018-07-18
• Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors
  申请人：LAU Warren C.

  公开号：US20180250297A1

  公开（公告）日：2018-09-06

  The present invention provides methods for inhibiting Fyn kinase, using 5-3-pyridin-2-amine, 6-3-imidazo[1,2-a] pyrazine, 6-3-imidazo[1,2-b] pyridazine, N-(5-imidazo [2,1-b][1,3,4] thiadiazol-2-yl)-amine, 4-3-1H-pyrazolo[3,4-b] pyridine, and N-(3-imidazo [1,2-b] pyridazin-6-yl) amine compounds and methods of treatment, prevention, inhibition or amelioration of diseases and conditions associated with Fyn kinase using such compounds.
• [EN] METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS<br/>[FR] MÉTHODES, COMPOSITIONS ET UTILISATIONS DE NOUVEAUX INHIBITEURS DE LA KINASE FYN
  申请人：LAU WARREN C

  公开号：WO2017044623A1

  公开（公告）日：2017-03-16

  The present invention provides methods for inhibiting Fyn kinase, using 5-3-pyridin-2-amine, 6-3-imidazo[1,2-a] pyrazine, 6-3-imidazo[1,2-b] pyridazine, N-(5-imidazo [2,1-b][1,3,4] thiadiazol-2-yl)-amine, 4-3-lH-pyrazolo[3,4- b] pyridine, and N-(3-imidazo [1,2-b] pyridazin-6-yl) amine compounds and methods of treatment, prevention, inhibition or amelioration of diseases and conditions associated with Fyn kinase using such compounds.
• Identification of inhibitors targeting polyketide synthase 13 of Mycobacterium tuberculosis as antituberculosis drug leads
  作者：Xiao Wang、Wenting Zhao、Bin Wang、Wei Ding、Hao Guo、Hongyi Zhao、Jianzhou Meng、Sihan Liu、Yu Lu、Yishuang Liu、Dongfeng Zhang

  DOI：10.1016/j.bioorg.2021.105110

  日期：2021.9