8,8'-bis-butylsulphanylmethyl-6,7,6',7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1,4,1',4'-tetraone | 858129-76-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 8,8'-bis-butylsulphanylmethyl-6,7,6',7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1,4,1',4'-tetraone
• 英文别名: 8-(butylsulfanylmethyl)-2-[8-(butylsulfanylmethyl)-6,7-dihydroxy-3-methyl-1,4-dioxo-5-propan-2-ylnaphthalen-2-yl]-6,7-dihydroxy-3-methyl-5-propan-2-ylnaphthalene-1,4-dione
• CAS: 858129-76-7
• 化学式: C₃₈H₄₆O₈S₂
• 分子量: 694.91
• InChiKey: OCCQHGSMSFRSLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  48
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  200
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME
  申请人：Dao Vi-Thuy

  公开号：US20090318566A1

  公开（公告）日：2009-12-24

  The present invention relates to compounds of general formula (1): in which, independently of each other, R 1 and R 2 represent: —OH, or —CH 2 —O—R 3 , or —CH 2 —S—R 3 , or R 3 , R 4 , R 5 and R 6 representing, independently of each other, —H or a carbon-containing group with 1 to 10 carbon atoms, saturated or unsaturated, optionally substituted with one or more heteroatomic groups. The invention also relates to pharmaceutical compositions containing these compounds, and their uses, in particular in the context of the treatment of cancer.

  本发明涉及一般式（1）的化合物：其中，独立于彼此的R1和R2代表：—OH，或—CH2—O—R3，或— —S—R3，或R3，R4，R5和R6分别独立地代表—H或含有1至10个碳原子的含碳基团，饱和或不饱和，可选地取代一个或多个杂原子基团。本发明还涉及含有这些化合物的药物组合物及其用途，特别是在癌症治疗方面的应用。
• DERIVES DU GOSSYPOL, LEUR METHODE D OBTENTION ET LEURS UTILISATIONS
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS)

  公开号：EP1704136B1

  公开（公告）日：2008-08-13
• GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME
  申请人：DAO VI-THUY

  公开号：US20110046233A1

  公开（公告）日：2011-02-24

  The present invention relates to compounds of general formula (1): in which, independently of each other, R 1 and R 2 represent: —OH, or —CH 2 —O—R 3 , or —CH 2 —S—R 3 , or R 3 , R 4 , R 5 and R 6 representing, independently of each other, —H or a carbon-containing group with 1 to 10 carbon atoms, saturated or unsaturated, optionally substituted with one or more heteroatomic groups. The invention also relates to pharmaceutical compositions containing these compounds, and their uses, in particular in the context of the treatment of cancer.
• US7851510B2
  申请人：——

  公开号：US7851510B2

  公开（公告）日：2010-12-14