| 1373759-38-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1373759-38-6
• 化学式: C₂₇H₃₀N₄O₆S
• 分子量: 538.624
• InChiKey: BXLJYCDPZNCEHX-BHDDXSALSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  38.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  133.08
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 4-二甲氨基吡啶 、 2,4,6-三异丙基苯磺酰氯 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 6.0h， 生成 1-((2R,4S,5R)-4-((4-methoxybenzyl)oxy)-5-(((4-methoxybenzyl)oxy)methyl)tetrahydrofuran-2-yl)-1H-imidazo[4',5':4,5]thieno[3,2-d]pyrimidin-5-amine
  参考文献：
  名称：

  Synthesis and biological evaluation of a series of thieno-expanded tricyclic purine 2′-deoxy nucleoside analogues

  摘要：

  Introducing structural diversity into the nucleoside scaffold for use as potential chemotherapeutics has long been considered an important approach to drug design. In that regard, we have designed and synthesized a number of innovative 2'-deoxy expanded nucleosides where a heteroaromatic thiophene spacer ring has been inserted in between the imidazole and pyrimidine ring systems of the natural purine scaffold. The synthetic efforts towards realizing the expanded 2'-deoxy-guanosine and -adenosine tricyclic analogues as well as the preliminary biological results are presented herein. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.03.004
• 作为产物：
  描述：

  在 乙基溴化镁 、 盐酸羟胺 、 sodium ethanolate 、 碳酸氢钠 、 potassium carbonate 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.58h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of a series of thieno-expanded tricyclic purine 2′-deoxy nucleoside analogues

  摘要：

  Introducing structural diversity into the nucleoside scaffold for use as potential chemotherapeutics has long been considered an important approach to drug design. In that regard, we have designed and synthesized a number of innovative 2'-deoxy expanded nucleosides where a heteroaromatic thiophene spacer ring has been inserted in between the imidazole and pyrimidine ring systems of the natural purine scaffold. The synthetic efforts towards realizing the expanded 2'-deoxy-guanosine and -adenosine tricyclic analogues as well as the preliminary biological results are presented herein. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.03.004