4-(3-methylbutyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one | 750624-62-5

• 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-methylbutyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• 英文别名: 4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• CAS: 750624-62-5
• 化学式: C₁₄H₁₆N₄OS
• mdl: MFCD06337046
• 分子量: 288.37
• InChiKey: CDNKKHCCJLPULM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.357
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• PAPD5 INHIBITORS AND METHODS OF USE THEREOF
  申请人：Children`s Medical Center Corporation

  公开号：US20210177827A1

  公开（公告）日：2021-06-17

  The disclosure relates to compounds that are, e.g., PAP Associated Domain Containing 5 (PAPD5) inhibitors and methods of use thereof.
• [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.