N-{4-[3-(5-bromo-2-methoxyphenyl)acryloyl]phenyl}acetamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: N-{4-[3-(5-bromo-2-methoxyphenyl)acryloyl]phenyl}acetamide
• 英文别名: N-[4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
• 化学式: C₁₈H₁₆BrNO₃
• 分子量: 374.2
• InChiKey: QBDZKEQCGYZKQO-WEVVVXLNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NOVEL STAT3 INHIBITORS IDENTIFIED BY STRUCTURE-BASED VIRTUAL SCREENING INCORPORATING SH2 DOMAIN FLEXIBILITY
  申请人：Board of Regents, The University of Texas System

  公开号：US20220168322A1

  公开（公告）日：2022-06-02

  In one aspect, the present disclosure provides methods of inhibiting STAT3 in a cell comprising contacting the cell with a compound of the formula: (I) wherein the variables are as defined herein. In another aspect, the present disclosure provides methods of using of the compounds disclosed herein for the treatment of cancer.
• [EN] NOVEL STAT3 INHIBITORS IDENTIFIED BY STRUCTURE-BASED VIRTUAL SCREENING INCORPORATING SH2 DOMAIN FLEXIBILITY<br/>[FR] NOUVEAUX INHIBITEURS DE STAT3 IDENTIFIÉS PAR UN CRIBLAGE VIRTUEL BASÉ SUR LA STRUCTURE INCORPORANT UNE FLEXIBILITÉ DE DOMAINE SH2
  申请人：UNIV TEXAS

  公开号：WO2020018944A1

  公开（公告）日：2020-01-23

  In one aspect, the present disclosure provides methods of inhibiting STAT3 in a cell comprising contacting the cell with a compound of the formula: (I) wherein the variables are as defined herein. In another aspect, the present disclosure provides methods of using of the compounds disclosed herein for the treatment of cancer.