4-[(6-Ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 4-[(6-Ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
• 化学式: C₁₅H₁₃N₃O₂S
• 分子量: 299.3
• InChiKey: WSKFGLJPTONFLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] COMPOUNDS THAT BIND NON-CANONICAL G-QUADRUPLEX STRUCTURES AND METHODS OF MAKING AND USING THE SAME<br/>[FR] COMPOSÉS QUI SE LIENT À DES STRUCTURES G-QUADRUPLEXES NON CANONIQUES ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：[en]THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：WO2022261296A1

  公开（公告）日：2022-12-15

  Small molecule compounds that selectively bind to non-canonical G-quadruplex (G4) structures, such as G4s in DNA found in various types of genes described herein, along with methods of using the compounds to reduce or inhibit protein (e.g., N-Myc protein) expression in cells, such as cancer cells. The compounds have a structure according to formulas described herein, or a stereoisomer, tautomer, or pharmaceutically effective salt or ester thereof.