8-penthylthioadenine

• 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-penthylthioadenine
• 英文别名: 8-pentylsulfanyl-7H-purin-6-amine
• 化学式: C₁₀H₁₅N₅S
• 分子量: 237.329
• InChiKey: RNWHXXWWCSFPTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  8-pentylthio-2'-deoxyadenosine 在 水 作用下， 生成 8-penthylthioadenine
  参考文献：
  名称：

  Hydrolysis of 2′-deoxypurine nucleosides. The effect of substitution at the C-8 position

  摘要：

  The hydrolytic stability of 2'-deoxypurine nucleosides is decreased by introduction of electron-withdrawing substituents at the C-8 position in the series of compounds 2-8, 10-14. The sulfone group causes a 2.9 x 10(4) rate acceleration for glycosidic bond cleavage in compound 14.

  DOI：

  10.1016/s0040-4039(00)73300-4

文献信息

• MITOCHONDRIA-TARGETED ANTI-TUMOR AGENTS
  申请人：University of Massachusetts

  公开号：US20160184333A1

  公开（公告）日：2016-06-30

  Described are mitochondria-targeted anti-tumor agents, and methods of making and using the same for the treatment of disorders associated with unwanted cell proliferation.

  描述了以线粒体为靶点的抗肿瘤药物，以及制备和使用这些药物治疗与不良细胞增殖有关的疾病的方法。
• Orally Active Purine-Based Inhibitors of Heat Shock Protein 90
  申请人：Kasibhatla R. Srinivas

  公开号：US20070129334A1

  公开（公告）日：2007-06-07

  Novel purine compounds and tautomers and pharmaceutically acceptable salts thereof are described, as are pharmaceutical compositions comprising the same, complexes comprising the same, e.g., HSP90 complexes, and methods of using the same. Methods of using the novel purine compounds of the invention, and tautomers and pharmaceutically acceptable salts thereof, include their use in inhibiting heat shock protein 90's (HSP90's) to thereby treat or prevent HSP90-dependent diseases, e.g., proliferative disorders such as breast cancer.

  本发明描述了新型嘌呤化合物及其互变异构体和药学上可接受的盐，以及包含它们的制药组合物、包含它们的复合物（例如HSP90复合物）和使用它们的方法。使用本发明的新型嘌呤化合物、互变异构体和药学上可接受的盐的方法包括在抑制热休克蛋白90（HSP90）中使用它们，从而治疗或预防HSP90依赖性疾病，例如增生性疾病如乳腺癌。
• Small-Molecule Hsp90 Inhibitors
  申请人：Chiosis Gabriela

  公开号：US20080253965A1

  公开（公告）日：2008-10-16

  Hsp90 inhibitors are provided having the formula: with a 2′,4′,5′-substitution pattern on the right-side aryl moiety. X1 represents two substituents, which may be the same or different, disposed in the 4′ and 5′ positions on the aryl group, wherein X1 is selected from halogen, alkyl, alkoxy, halogenated alkoxy, hydroxyalkyl, pyrollyl, optionally substituted aryloxy, alkylamino, dialkylamino, carbamyl, amido, alkylamido dialkylamido, acylamino, alkylsulfonylamido, trihalomethoxy, trihalocarbon, thioalkyl, SO 2 . alkyl, COO-alkyl, KH 2 , OH, CN, SO 2 X 5 , NO 2 , NO, C═SR 2 NSO 2 X 5 , C═OR 2 , where X 5 is F, NH2, alkyl or H, and R 2 is alkyl, NH 2 , NH-alkyl or O-alkyl, C 1 to C 6 alkyl or alkoxy; or wherein X 1 has the formula -0-(CH 2 ) n -0-, wherein n is an integer from O to 2, preferably 1 or 2, and one of the oxygens is bonded at the 5′-position and the other at the 4′-position of the aryl ring. The compounds are useful in cancer therapy and as radioimaging ligands.

  提供具有以下公式的Hsp90抑制剂：右侧芳基基团上具有2'、4'、5'取代模式。X1代表位于芳基团的4'和5'位置的两个取代基，可以相同或不同，其中X1选自卤素、烷基、烷氧基、卤代烷氧基、羟基烷基、吡咯基、可选取代的芳氧基、烷基氨基、二烷基氨基、氨基甲酰、酰胺、烷基酰胺、二烷基酰胺、酰胺基、烷基磺酰胺基、三卤甲氧基、三卤代碳基、硫代烷基、SO2.烷基、COO-烷基、KH2、OH、CN、SO2X5、NO2、NO、C═SR2NSO2X5、C═OR2，其中X5为F、NH2、烷基或H，R2为烷基、NH2、NH-烷基或O-烷基，C1到C6烷基或烷氧基；或X1具有公式-0-（CH2）n-0-，其中n是0到2的整数，优选为1或2，其中一个氧原子与芳环的5'位置键合，另一个氧原子键合于4'位置。这些化合物在癌症治疗和放射性成像配体方面有用。
• Small-Molecule HSP90 Inhibitors
  申请人：Chiosis Gabriela

  公开号：US20110104054A1

  公开（公告）日：2011-05-05

  Hsp90 inhibitors having are provided having the formula: with a 2′,4′,5′-substitution pattern on the right-side aryl moiety. X1 represents two substituents, which may be the same or different, disposed in the 4′ and 5′ positions on the aryl group, wherein X1 is selected from halogen, alkyl, alkoxy, halogenated alkoxy, hydroxyalkyl, pyrollyl, optionally substituted aryloxy, alkylamino, dialkylamino, carbamyl, amido, alkylamido dialkylamido, acylamino, alkylsulfonylamido, trihalomethoxy, trihalocarbon, thioalkyl, SO 2- alkyl, COO-alkyl, KH 2 , OH, CN, SO 2 X 5 , NO 2 , NO, C═SR 2 NSO 2 X 5 , C═OR 2 , where X 5 is F, NH2, alkyl or H, and R 2 is alkyl, NH 2 , NH-alkyl or O-alkyl, C 1 to C 6 alkyl or alkoxy; or wherein X 1 has the formula -0-(CH 2 ) n -0-, wherein n is an integer from O to 2, preferably 1 or 2, and one of the oxygens is bonded at the 5′-position and the other at the 4′-position of the aryl ring. The compounds are useful in cancer therapy and as radioimaging ligands.

  提供具有以下公式的Hsp90抑制剂：右侧芳基基团上具有2′，4′，5′-取代模式。X1代表在芳基团上的4′和5′位置上排列的两个取代基，其中X1从卤素，烷基，烷氧基，卤代烷氧基，羟基烷基，吡咯基，可选择取代的芳氧基，烷基氨基，二烷基氨基，氨基甲酰，酰胺，烷基酰胺，二烷基酰胺，酰胺基，烷基磺酰胺基，三卤甲氧基，三卤代碳基，硫代烷基，SO2-烷基，COO-烷基，KH2，OH，CN，SO2X5，NO2，NO，C═SR2NSO2X5，C═OR2，其中X5为F，NH2，烷基或H，而R2为烷基，NH2，NH-烷基或O-烷基，C1到C6烷基或烷氧基；或其中X1具有公式-0-（CH2）n-0-，其中n是从O到2的整数，优选为1或2，其中一个氧原子与芳环的5′位置连接，另一个氧原子与芳环的4′位置连接。这些化合物在癌症治疗和放射成像配体中有用。
• Small-molecule Hsp90 Inhibitors
  申请人：Chiosis Gabriela

  公开号：US20110312980A1

  公开（公告）日：2011-12-22

  Purine scaffold Hsp90 inhibitors are useful in therapeutic applications and as radioimaging ligands.

  嘌呤支架Hsp90抑制剂在治疗应用和放射性成像配体中很有用。