4-(Azepanium-1-ylmethyl)-3-(ethoxycarbonyl)-2-phenyl-1-benzofuran-5-olate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 4-(Azepanium-1-ylmethyl)-3-(ethoxycarbonyl)-2-phenyl-1-benzofuran-5-olate
• 英文别名: 4-(azepan-1-ium-1-ylmethyl)-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-olate
• 化学式: C24H27NO4
• mdl: MFCD01847190
• 分子量: 393.5
• InChiKey: WCGCXQQWRRQKEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  62.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• MYC G-quadruplex stabilizing small molecules and their use
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：US10196372B2

  公开（公告）日：2019-02-05

  Methods for treating a tumor, such as a benign or malignant tumor, are disclosed herein. The methods include administering a therapeutically effective amount of a small molecule that selectively binds to and stabilizes G-quadruplex DNA in the promoter of the c-MYC gene to the subject. The methods are also of use to decrease the size and/or number of metastases. Compounds for use in the disclosed methods are also provided.

  本文公开了治疗肿瘤（如良性或恶性肿瘤）的方法。这些方法包括向受试者施用治疗有效量的小分子，这种小分子可选择性地与 c-MYC 基因启动子中的 G-四叠体 DNA 结合并使其稳定。这些方法还可用于减少转移灶的大小和/或数量。还提供了用于所公开方法的化合物。
• MYC G-QUADRUPLEX STABILIZING SMALL MOLECULES AND THEIR USE
  申请人：The U.S.A. as represented by the Secretary, Department of Health and Human Services

  公开号：EP3242661B1

  公开（公告）日：2019-08-21
• [EN] MYC G-QUADRUPLEX STABILIZING SMALL MOLECULES AND THEIR USE<br/>[FR] PETITES MOLÉCULES DE STABILISATION DE LA STRUCTURE G-QUADRUPLEXE DU GÈNE MYC ET LEUR UTILISATION
  申请人：US HEALTH

  公开号：WO2016112036A1

  公开（公告）日：2016-07-14

  Methods for treating a tumor, such as a benign or malignant tumor, are disclosed herein. The methods include administering a therapeutically effective amount of a small molecule that selectively binds to and stabilizes G-quadruplex DNA in the promoter of the c-MVCgene to the subject. The methods are also of use to decrease the size and/or number of metastases. Compounds for use in the disclosed methods are also provided.