8-hexylthioxanthine

• 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-hexylthioxanthine
• 英文别名: 8-Hexylsulfanyl-3,7-dihydropurine-2,6-dione
• 化学式: C₁₁H₁₆N₄O₂S
• 分子量: 268.34
• InChiKey: WIMURTTXCPGEQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-hexylthiohypoxanthine 在 xanthine oxidase from buttermilk 作用下， 以 二甲基亚砜 为溶剂， 生成 8-hexylthioxanthine
  参考文献：
  名称：

  2-Alkyloxyalkylthiohypoxanthines as new potent inhibitors of xanthine oxidase

  摘要：

  The title compounds were prepared and tested as xanthine oxidase (XO) inhibitors. Results evidenced that potency was related to the position of the oxygen atom in the 2-linear chain and that it grew with distance from the sulfur atom until it became equipotent to 2-n-hexylthiohypoxanthine. Enzymatic oxidation on C(2) occurred in the 8-alkylthiohypoxanthines. On the contrary, oxidation on C(8) did not occur in the 2-alkythioderivatives, demonstrating that the chain forced these molecules to form a complex with molybdenum(VI) involving only the N(3) and N(9) nitrogen atoms. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01160-0

文献信息

• 2-Alkyloxyalkylthiohypoxanthines as new potent inhibitors of xanthine oxidase
  作者：Giuliana Biagi、Irene Giorgi、Federica Pacchini、Oreste Livi、Valerio Scartoni

  DOI：10.1016/s0014-827x(01)01160-0

  日期：2001.11

  The title compounds were prepared and tested as xanthine oxidase (XO) inhibitors. Results evidenced that potency was related to the position of the oxygen atom in the 2-linear chain and that it grew with distance from the sulfur atom until it became equipotent to 2-n-hexylthiohypoxanthine. Enzymatic oxidation on C(2) occurred in the 8-alkylthiohypoxanthines. On the contrary, oxidation on C(8) did not occur in the 2-alkythioderivatives, demonstrating that the chain forced these molecules to form a complex with molybdenum(VI) involving only the N(3) and N(9) nitrogen atoms. (C) 2001 Elsevier Science S.A. All rights reserved.