4-(3-methoxypropyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(3-methoxypropyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• 英文别名: 4-(3-methoxypropyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• 化学式: C₁₃H₁₄N₄O₂S
• mdl: MFCD06342780
• 分子量: 290.34
• InChiKey: FGOFGESTKFLRBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.307
• 拓扑面积：
  89.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER<br/>[FR] INHIBITEUR DU DOMAINE POLO-BOX PLK1 ET MÉTHODE DE TRAITEMENT DU CANCER
  申请人：[en]THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：WO2022067100A2

  公开（公告）日：2022-03-31

  Provided is a method of treating cancer, particularly cancers associated with an overexpression of polo-like kinase (Plk1), comprising administering a compound of formula (I) or a pharmaceutically acceptable salt thereof in which ring A, X1, X2, X3, X4, X5, R2, R3, R4, n, bond a, and bond b are described herein. Exemplary compounds of formula (I) and pharmaceutically acceptable salts thereof, especially those that selectively inhibit the polo box domain of Plk1, also are provided.