8-{[3-(8-bromo-2-hydroxy-3-methyl-6-oxo-3,6-dihydro-7H-purin-7-yl)propyl]sulfanyl}-7-(2-chlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 8-{[3-(8-bromo-2-hydroxy-3-methyl-6-oxo-3,6-dihydro-7H-purin-7-yl)propyl]sulfanyl}-7-(2-chlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
• 英文别名: 8-bromo-7-[3-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropyl]-3-methylpurine-2,6-dione
• 化学式: C₂₂H₂₀BrClN₈O₄S
• 分子量: 607.9
• InChiKey: HFQHEXCMLGBORG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  160
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] ANTAGONISTS OF THE GOLGI REASSEMBLY-STACKING PROTEIN OF 55 KDA (GRASP55) AND USES THEREOF<br/>[FR] ANTAGONISTES DE LA PROTÉINE DE RÉASSEMBLAGE-EMPILEMENT DE 55 KDA DE L'APPAREIL DE GOLGI (GRASP55) ET LEURS UTILISATIONS
  申请人：INST NAT DE LA SANTE ET DE LA RECH MEDICALE (INSERM)

  公开号：WO2017021435A1

  公开（公告）日：2017-02-09

  The present invention relates to new compounds useful as antagonists of the Golgi reassembly-stacking protein of 55 k Da (Grasp55), and in particular to their use as a non-hormonal male contraceptive. The present invention also relates to these compounds for use as a medicament, in particular for the treatment or the prevention of a disease selected from the group consisting of cancer, metastases and an inflammatory disease.

  本发明涉及新化合物，可用作55 kDa高尔基重组堆积蛋白（Grasp55）的拮抗剂，特别是用作非激素男性避孕药的用途。本发明还涉及这些化合物作为药物的用途，特别是用于治疗或预防癌症，转移和炎症性疾病等疾病的用途。