3-n-propyl-8-cyclobutyl-6-thioxanthine | 114834-16-1

• 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: 3-n-propyl-8-cyclobutyl-6-thioxanthine
• 英文别名: 8-cyclobutyl-3-propyl-6-thioxanthine；8-Cyclobutyl-3-(n-propyl)-6-thioxanthine；8-cyclobutyl-3-propyl-6-sulfanylidene-7H-purin-2-one
• CAS: 114834-16-1
• 化学式: C₁₂H₁₆N₄OS
• 分子量: 264.351
• InChiKey: XSWGLAQLLHENTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-keto-6-thioketo-purine 、 3-n-propyl-8-cyclobutylxanthine 以70%的产率得到3-n-propyl-8-cyclobutyl-6-thioxanthine
  参考文献：
  名称：

  6-thioxanthines

  摘要：

  公式I中的6-硫氧黄嘌呤或其药学上可接受的盐，其中R.sub.3是C.sub.2到C.sub.6烷基，C.sub.3到C.sub.7环烷基或C.sub.4到C.sub.8环烷基烷基，R.sub.8是C.sub.1到C.sub.6烷基，C.sub.3到C.sub.7环烷基或C.sub.4到C.sub.8环烷基烷基，但当R.sub.3是乙基、正丙基或正丁基时，R.sub.8是C.sub.3到C.sub.6烷基，C.sub.3到C.sub.7环烷基或C.sub.4到C.sub.8环烷基烷基。这些3,8-二取代-6-硫氧黄嘌呤具有增强的支气管舒张作用。

  公开号：

  US05010081A1

文献信息

• Fused purine derivatives
  申请人：——

  公开号：US20030176698A1

  公开（公告）日：2003-09-18

  A condensed purine derivative represented by Formula (I): 1 wherein X—Y—Z represents R 1 N—C═O or N═C—W, R 2 represents a hydrogen atom, a substituted or unsubstituted lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, a substituted or unsubstituted aromatic heterocyclic group, a substituted or unsubstituted alicyclic heterocyclic group or the like, n represents an integer of from 0 to 3, V 1 represents a hydrogen atom, a substituted or unsubstituted lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, or a substituted or unsubstituted aromatic heterocyclic group, V 2 represents a substituted lower alkyl group or a substituted or unsubstituted aromatic heterocyclic group, and when V 1 represents a hydrogen atom, a lower alkyl group, a substituted or unsubstituted aralkyl group, or a substituted or unsubstituted aryl group, and for example, X—Y—Z represents R 1a N—C═O and R 2 represents a substituted lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted alicyclic heterocyclic group, a halogen atom, a lower alkylthio group, —NR 7 R 8 , —CO 2 H, a lower alkoxycarbonyl group, —COHal, —CONR 9 R 10 or —CHO, V 2 may represent a lower alkyl group, a substituted or unsubstituted aralkyl group, or a substituted or unsubstituted aryl group; or a pharmacologically acceptable salt thereof.

  一个由公式(I)表示的浓缩嘌呤衍生物：1 其中，X—Y—Z代表R1N—C═O或N═C—W，R2代表氢原子、取代或未取代的低级烷基团、取代或未取代的芳烷基团、取代或未取代的芳基团、取代或未取代的芳香杂环团、取代或未取代的脂肪杂环团等，n代表从0到3的整数，V1代表氢原子、取代或未取代的低级烷基团、取代或未取代的芳烷基团、取代或未取代的芳基团或取代或未取代的芳香杂环团，V2代表取代的低级烷基团或取代或未取代的芳香杂环团，并且当V1代表氢原子、低级烷基团、取代或未取代的芳烷基团或取代或未取代的芳基团时，例如，X—Y—Z代表R1aN—C═O并且R2代表取代的低级烷基团、取代或未取代的芳烷基团、取代或未取代的脂肪杂环团、卤素原子、低级烷基亚硫酰基团、—NR7R8、—CO2H、低级烷氧羰基团、—COHal、—CONR9R10或—CHO，V2可以代表低级烷基团、取代或未取代的芳烷基团或取代或未取代的芳基团；或其药理可接受的盐。
• REMEDIES FOR DIABETES
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1092435A1

  公开（公告）日：2001-04-18

  A medicament for the therapeutic treatment of diabetes which comprises as an active ingredient a compound represented by the general formula (I): wherein R1 represents a hydrogen atom, a lower alkyl group, a substituted or unsubstituted aryl group, or a substituted or unsubstituted aromatic heterocyclic group, R2 represents a hydrogen atom, a lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, or a substituted or unsubstituted aromatic heterocyclic group, R3 represents a hydrogen atom, a lower alkyl group or a substituted or unsubstituted aralkyl group, X1 and X2 independently represent a hydrogen atom, a lower alkyl group, a substituted or unsubstituted aralkyl group, or a substituted or unsubstituted aryl group, and the symbol "n" represents an integer of from 0 to 3, or a physiologically acceptable salt thereof.

  一种治疗糖尿病的药物，其活性成分包括通式(I)所代表的化合物： 其中 R1 代表氢原子、低级烷基、取代或未取代的芳基或取代或未取代的芳香杂环基团， R2 代表氢原子、低级烷基、取代或未取代的芳基、取代或未取代的芳香杂环基团、R3 代表氢原子、低级烷基或取代或未取代的芳基，X1 和 X2 独立地代表氢原子、低级烷基、取代或未取代的芳基或取代或未取代的芳基，符号 "n "代表 0 至 3 的整数，或其生理上可接受的盐。
• FUSED PURINE DERIVATIVES
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1251130A1

  公开（公告）日：2002-10-23

  A condensed purine derivative represented by Formula (I): wherein X--Y--Z represents R1N-C=O or N=C-W, R2 represents a hydrogen atom, a substituted or unsubstituted lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, a substituted or unsubstituted aromatic heterocyclic group, a substituted or unsubstituted alicyclic heterocyclic group or the like, n represents an integer of from 0 to 3, V1 represents a hydrogen atom, a substituted or unsubstituted lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, or a substituted or unsubstituted aromatic heterocyclic group, V2 represents a substituted lower alkyl group or a substituted or unsubstituted aromatic heterocyclic group, and when V1 represents a hydrogen atom, a lower alkyl group, a substituted or unsubstituted aralkyl group, or a substituted or unsubstituted aryl group, and for example, X--Y--Z represents R1aN-C=O and R2 represents a substituted lower alkyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted alicyclic heterocyclic group, a halogen atom, a lower alkylthio group, -NR7R8, -CO2H, a lower alkoxycarbonyl group, -COHal, -CONR9R10 or -CHO, V2 may represent a lower alkyl group, a substituted or unsubstituted aralkyl group, or a substituted or unsubstituted aryl group; or a pharmacologically acceptable salt thereof.

  由式(I)代表的缩合嘌呤衍生物： 其中 X--Y--Z代表 R1N-C=O或N=C-W，R2代表氢原子、取代或未取代的低级烷基、取代或未取代的芳烷基、取代或未取代的芳基、取代或未取代的芳香杂环基团、取代或未取代的脂环杂环基团或类似基团，n代表0至3的整数，V1代表氢原子、V1 代表氢原子、取代或未取代的低级烷基、取代或未取代的芳烷基、取代或未取代的芳基或取代或未取代的芳杂环基团、V2 代表取代的低级烷基或取代的或未取代的芳杂环基团，当 V1 代表氢原子、低级烷基、取代的或未取代的芳烷基或取代的或未取代的芳基时，例如，X--Y--Z 代表 R1aN-C=O，R2 代表取代的低级烷基、取代或未取代的芳烷基、取代或未取代的脂环杂环基、卤素原子、低级烷硫基、-NR7R8、-CO2H、低级烷氧基羰基、-COHal、-CONR9R10 或 -CHO，V2 可代表低级烷基、取代或未取代的芳烷基或取代或未取代的芳基；或其药理学上可接受的盐。
• 6-Thioxanthines
  申请人：Euroceltique S.A.

  公开号：EP0256692B1

  公开（公告）日：1992-09-16
• US4925847A
  申请人：——

  公开号：US4925847A

  公开（公告）日：1990-05-15