6-methylthio-9-ethylpurine | 7252-00-8

• 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: 6-methylthio-9-ethylpurine
• 英文别名: 9-ethyl-6-methylsulfanyl-9H-purine；9-Aethyl-6-methylmercapto-9H-purin；9-Ethyl-6-methylthiopurine；9-ethyl-6-methylsulfanylpurine
• CAS: 7252-00-8
• 化学式: C₈H₁₀N₄S
• 分子量: 194.26
• InChiKey: OQDMOHRZTMPTKT-UHFFFAOYSA-N

物化性质

• 沸点：
  366.0±45.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  68.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-methylthio-9-ethylpurine 、 十二硫醇 在 1,10-菲罗啉 、 sodium carbonate 、 copper(l) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以97%的产率得到6-(dodecylthio)-9-ethyl-9H-purine
  参考文献：
  名称：

  Direct Sulfenylation of the Purine C₈–H Bond with Thiophenols

  摘要：

  The one-step copper-mediated regioselective formation of the C-8-S bond for purine derivatives with arylthiols was achieved using air as the green oxidant in the presence of 1.0 equiv of Na2CO3 and stoichiometric CuCl and 1,10-phenanthroline monohydrate. This method provides an economical, easy-to-handle, and effective method for the synthesis of 8-sulfenylpurine derivatives in moderate to excellent yields. The reaction is selective for C8 over C2 and C6. It also tolerates a free amine on the purine, and it has a wide substrate scope.

  DOI：

  10.1021/acs.joc.9b03115
• 作为产物：
  描述：

  6-氯-9-乙基-9H-嘌呤 在 sodium hydroxide 、 乙醇 作用下， 生成 6-methylthio-9-ethylpurine
  参考文献：
  名称：

  Synthesis of Potential Anticancer Agents. IX. 9-Ethyl-6-substituted-purines²

  摘要：

  DOI：

  10.1021/ja01576a046

文献信息

• Visible light-induced direct alkylation of the purine C₈–H bond with ethers
  作者：Changtong Lu、Gary Histand、Dongen Lin

  DOI：10.1039/d3ob00147d

  日期：——

  purine derivatives by ethers was developed using Eosin Y as the photocatalyst and t-BuOOH as the oxidant at room temperature. This method describes the coupling of the α-C of the ether to the C8 of purine. Of particular interest is that substrates include purines with various functional groups and even unprotected 9H-purines. The protocol provides an effective method for the synthesis of 8-alkylpurine derivatives

  以曙红Y为光催化剂， t -BuOOH为氧化剂，室温下开发了一步可见光诱导的嘌呤衍生物C 8 -H键直接烷基化反应。该方法描述了醚的 α-C 与嘌呤的 C 8的偶联。特别令人感兴趣的是底物包括具有各种官能团的嘌呤，甚至是未保护的 9 H-嘌呤。该协议为合成具有高原子经济性和高区域选择性的 8-烷基嘌呤衍生物提供了一种有效的方法。
• ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20210106607A1

  公开（公告）日：2021-04-15

  The present disclosure provides a compound having a STING agonistic activity, which may be expected to be useful as an agent for the prophylaxis or treatment of STING-related diseases. The present disclosure relates to a compound represented by the formula (I): wherein each symbol is as defined in the description, or a salt thereof.