6-[[5-溴-6-氯-2-(甲硫基)-4-嘧啶基]硫代]-1H-嘌呤-2-胺 | 90766-92-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 6-[[5-溴-6-氯-2-(甲硫基)-4-嘧啶基]硫代]-1H-嘌呤-2-胺
• 英文名称: NSC52383
• 英文别名: 2-Amino-6-(6-chlor-5-brom-2-methylmercapto-pyrimidinyl-(4)-mercapto)-purin；6-(5-bromo-6-chloro-2-methylsulfanyl-pyrimidin-4-ylsulfanyl)-7(9)H-purin-2-ylamine；1H-Purin-2-amine, 6-((5-bromo-6-chloro-2-(methylthio)-4-pyrimidinyl)thio)-；6-(5-bromo-6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-7H-purin-2-amine
• CAS: 90766-92-0
• 化学式: C₁₀H₇BrClN₇S₂
• 分子量: 404.701
• InChiKey: HCIPRXPENNHLHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  157
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• 6-ETHER/THIOETHER-PURINES AS TOPOISOMERASE II CATALYTIC INHIBITORS AND THEIR USE IN THERAPY
  申请人：Jensen Lars Hollund

  公开号：US20090209535A1

  公开（公告）日：2009-08-20

  The present invention relates to certain purines of the following formulae, which act as topoisomerase II catalytic inhibitors: wherein: J is independently: —H or —NR N1 R N2 ; X is independently: —O—, or —S—; Q is independently: a covalent bond, C 1-7 alkylene, C 2-7 alkenylene, C 2-7 alkynylene, C 3-7 cycloalkylene, C 3-7 cycloalkenylene, or C 3-7 cycloalkynylene; T is independently: a group A 1 or a group A 2 ; A 1 is independently: C 6-14 carboaryl, C 5-14 heteroaryl, C 3-12 carbocyclic, or C 3-12 heterocyclic; and is independently unsubstituted or substituted; A 2 is independently: —H, —CN, —OH, or —O(C═O)—C 1-7 alkyl; R N is independently —H or a nitrogen ring substituent; R 8 is independently —H or a ring substituent; either: each of R N1 and R N2 is independently —H or a nitrogen substituent; or: R N1 and R N2 taken together with the nitrogen atom to which they are attached form a ring having from 3 to 7 ring atoms; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, N-oxides, chemically protected forms, and prodrugs thereof. These compounds are useful in combination with topoisomerase II poisons, such as anthracyclines and epipodophyllotoxins, in the treatment of proliferative conditions (e.g., cancer). These compounds are also useful in the treatment of tissue damage associated with extravasation of a topoisomerase II poison, such as an anthracycline or an epipodophyllotoxin.