9-<(1-hydroxy-2-iodomethyl)ethoxymethyl>guanine | 108436-38-0

• 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: 9-<(1-hydroxy-2-iodomethyl)ethoxymethyl>guanine
• 英文别名: 2-amino-9-[(1-hydroxy-3-iodopropan-2-yl)oxymethyl]-1H-purin-6-one
• CAS: 108436-38-0
• 化学式: C₉H₁₂IN₅O₃
• 分子量: 365.13
• InChiKey: XQINQCSWFVMREJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  9-<(1-hydroxy-2-iodomethyl)ethoxymethyl>guanine 在 trisodium thiophosphate 作用下， 以 水 为溶剂， 反应 30.0h， 以65%的产率得到9-<(1-hydroxymethyl-2-thio)ethoxymethyl>guanine S-phosphate di-sodium salt
  参考文献：
  名称：

  Synthesis and Properties of S-Phosphates of Some Antiviral Acyclonucleosides

  摘要：

  Suitably protected penciclovir, ganciclovir and 9-[3-hydroxy-2-(hydroxymethyl)propoxy]guanine were converted into their iodo-derivatives which in turn were reacted with trisodium thiophosphate to give the corresponding S-phosphates in good yields.

  DOI：

  10.1080/15257779408011864
• 作为产物：
  描述：

  更昔洛韦 在 咪唑 、 氨 、 碘 、 三苯基膦 、 三氟乙酸 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 12.17h， 生成 9-<(1-hydroxy-2-iodomethyl)ethoxymethyl>guanine
  参考文献：
  名称：

  Synthesis and Properties of S-Phosphates of Some Antiviral Acyclonucleosides

  摘要：

  Suitably protected penciclovir, ganciclovir and 9-[3-hydroxy-2-(hydroxymethyl)propoxy]guanine were converted into their iodo-derivatives which in turn were reacted with trisodium thiophosphate to give the corresponding S-phosphates in good yields.

  DOI：

  10.1080/15257779408011864

文献信息

• [EN] PROTECTED NUCLEOTIDE ANALOGS<br/>[FR] ANALOGUES NUCLEOTIDIQUES PROTÉGÉS
  申请人：ALIOS BIOPHARMA INC

  公开号：WO2010108135A1

  公开（公告）日：2010-09-23

  Disclosed herein are nucleotide analogs with protected phosphates, methods of synthesizing nucleotide analogs with protected phosphates and methods of treating diseases and/or conditions such as viral infections, cancer, and/or parasitic diseases with the nucleotide analogs with protected phosphates.