3'-Chlor-1',2'-dihydroxy-benztropolon-carbonsaeure-(4)-ethylester | 3940-34-9

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: 3'-Chlor-1',2'-dihydroxy-benztropolon-carbonsaeure-(4)-ethylester
• 英文别名: 4-Ethoxycarbonyl-1',2'-dihydroxy-3'-chlor-6,7-benzotropolon；4'-Chlor-5',6'-dihydroxy-4-carbethoxy-6,7-benzo-tropolon；Ethyl 2-chloro-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylate
• CAS: 3940-34-9
• 化学式: C₁₄H₁₁ClO₆
• 分子量: 310.691
• InChiKey: NLDZMCYULYHTPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  没食子酸乙酯 、 3-氯邻苯醌 以 水 、 丙酮 为溶剂， 生成 3'-Chlor-1',2'-dihydroxy-benztropolon-carbonsaeure-(4)-ethylester
  参考文献：
  名称：

  Horner,L. et al., Chemische Berichte, 1964, vol. 97, p. 312 - 324

  摘要：

  DOI：

文献信息

• [EN] HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS<br/>[FR] BENZOTROPOLONES HALOGÉNÉES EN TANT QU'INHIBITEURS D'ATG4B
  申请人：UNIV ANTWERPEN

  公开号：WO2018096088A1

  公开（公告）日：2018-05-31

  The present invention relates to compounds having a benzotropolone core, and compositions containing said compounds acting as ATG4B inhibitors, thereby inhibiting autophagy. Moreover, the present invention provides processes for the preparation of the disclosed compounds, as well as methods of using them, for instance as a medicine, in particular for the treatment of cell proliferative disorders, such as cancer.

  本发明涉及具有苯并三环酮核的化合物，以及含有该化合物并作为ATG4B抑制剂的组合物，从而抑制自噬。此外，本发明提供了制备所述化合物的方法，以及使用它们的方法，例如作为药物，特别是用于治疗细胞增殖性疾病，如癌症。
• Halogenated benzotropolones as ATG4B inhibitors
  申请人：Universiteit Antwerpen

  公开号：US10738002B2

  公开（公告）日：2020-08-11

  The present invention relates to compounds having a benzotropolone core, and compositions containing said compounds acting as ATG4B inhibitors, thereby inhibiting autophagy. Moreover, the present invention provides processes for the preparation of the disclosed compounds, as well as methods of using them, for instance as a medicine, in particular for the treatment of cell proliferative disorders, such as cancer. Halogenated benzotropolones described here are of formula

  本发明涉及具有苯并酞酮核心的化合物，以及含有上述化合物的组合物，这些化合物可作为 ATG4B 抑制剂，从而抑制自噬。此外，本发明还提供了制备所公开化合物的工艺，以及使用这些化合物的方法，例如将其用作药物，特别是用于治疗细胞增殖性疾病，如癌症。本发明所述卤代苯并酞酮的化学式为
• HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS
  申请人：Universiteit Antwerpen

  公开号：US20190284130A1

  公开（公告）日：2019-09-19

  The present invention relates to compounds having a benzotropolone core, and compositions containing said compounds acting as ATG4B inhibitors, thereby inhibiting autophagy. Moreover, the present invention provides processes for the preparation of the disclosed compounds, as well as methods of using them, for instance as a medicine, in particular for the treatment of cell proliferative disorders, such as cancer.