9-(N-丁基)-6-巯基嘌呤 | 6165-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 9-(N-丁基)-6-巯基嘌呤
• 英文名称: 9-butyl-1,9-dihydro-purine-6-thione
• 英文别名: 9-Butyl-1,9-dihydro-purin-6-thion；9-butyl-3H-purine-6-thione
• CAS: 6165-01-1
• 化学式: C₉H₁₂N₄S
• 分子量: 208.287
• InChiKey: HRAKJMXGVYBTRV-UHFFFAOYSA-N

物化性质

• 密度：
  1.1703 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  74.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

制备方法与用途

类别：有毒物质
毒性分级：中毒
急性毒性：

• 大鼠腹腔 LDLo：300 毫克/公斤
• 小鼠腹腔 LD50：270 毫克/公斤

可燃性危险特性：热分解时排出有毒的氮氧化物、硫氧化物和烟雾

储运特性：库房应保持通风、低温且干燥

灭火剂：水、干粉、二氧化碳、泡沫

反应信息

• 作为产物：
  描述：

  9-丁基-6-氯嘌呤 、 硫脲 在 丙醇 作用下， 生成 9-(N-丁基)-6-巯基嘌呤
  参考文献：
  名称：

  Synthesis of Potential Anticancer Agents. XII. 9-Alkyl-6-substituted-purines²

  摘要：

  DOI：

  10.1021/ja01535a041

文献信息

• METHOD FOR THE SELECTIVE THERAPY OF DISEASE
  申请人：Lubin, Adam

  公开号：EP2192905A2

  公开（公告）日：2010-06-09
• THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE
  申请人：Lubin Adam

  公开号：US20150119351A1

  公开（公告）日：2015-04-30

  Methods for treating diseases in humans and vertebrate animals are provided using competitive antagonists of cellular metabolites combined with a protective agent for protecting host cells from toxic effects of the drugs. Also provided are kits comprising competitive antagonists and suitable protective agents. In addition, screening methods for identifying competitive antagonists, protective agents and potentiating agents, for use according to the methods of the invention, are provided.
• US8796241B2
  申请人：——

  公开号：US8796241B2

  公开（公告）日：2014-08-05
• [EN] METHOD FOR THE SELECTIVE THERAPY OF DISEASE<br/>[FR] PROCÉDÉ POUR LA THÉRAPIE SÉLECTIVE D'UNE MALADIE
  申请人：LUBIN ADAM

  公开号：WO2009032057A2

  公开（公告）日：2009-03-12

  Methods for treating diseases in humans and vertebrate animals are provided using competitive antagonists of cellular metabolites combined with a protective agent for protecting host cells from toxic effects of the drugs. Also provided are kits comprising competitive antagonists and suitable protective agents. In addition, screening methods for identifying competitive antagonists, protective agents and potentiating agents, for use according to the methods of the invention, are provided.
• Synthesis of Potential Anticancer Agents. XII. 9-Alkyl-6-substituted-purines²
  作者：John A. Montgomery、Carroll Temple

  DOI：10.1021/ja01535a041

  日期：1958.1