6-(1,3-Benzodioxol-5-yl)-3-(benzylthio)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 6-(1,3-Benzodioxol-5-yl)-3-(benzylthio)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
• 英文别名: 6-(1,3-benzodioxol-5-yl)-3-benzylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
• 化学式: C₂₄H₁₈N₄O₃S
• 分子量: 442.5
• InChiKey: VQCNCZNFZABMHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies
  申请人：University of Iowa Research Foundation

  公开号：US20180209956A1

  公开（公告）日：2018-07-26

  Disclosed are methods, compositions, kits, and systems for identifying small-molecule drugs for treating cancer in a subject. The disclosed methods, compositions, kits, and systems may be utilized to identify small-molecule inhibitors of radiation sensitive protein 52 (RAD52) in order to treat cancer in a subject, such as breast cancer in a subject having a BRCA1-deficient, BRCA2-deficient, and/or PALB2-deficient phenotype by administering the identified small-molecule inhibitors to the subject.
• [EN] HIGH THROUGHPUT SCREENING ASSAY FOR IDENTIFYING INHIBITORS OF RAD52 AND USES OF THE IDENTIFIED INHIBITORS FOR TREATMENT AND/OR PREVENTION OF MALIGNACIES<br/>[FR] ESSAI DE CRIBLAGE À HAUT DÉBIT PERMETTANT D'IDENTIFIER DES INHIBITEURS DE RAD52 ET UTILISATIONS DES INHIBITEURS IDENTIFIÉS POUR LE TRAITEMENT ET/OU LA PRÉVENTION DES MALIGNITÉS
  申请人：UNIV IOWA RES FOUND

  公开号：WO2017015187A1

  公开（公告）日：2017-01-26

  Disclosed are methods, compositions, kits, and systems for identifying small- molecule drugs for treating cancer in a subject. The disclosed methods, compositions, kits, and systems may be utilized to identify small-molecule inhibitors of radiation sensitive protein 52 (RAD52) in order to treat cancer in a subject, such as breast cancer in a subject having a BRCA1- deficient, BRCA2 -deficient, and/or PALB2 -deficient phenotype by administering the identified small-molecule inhibitors to the subject.