2-amino-6-chloro-9-<(3-diethylphosphono)-1-propyloxymethyl>-9H-purine | 95412-65-0

• 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: 2-amino-6-chloro-9-<(3-diethylphosphono)-1-propyloxymethyl>-9H-purine
• 英文别名: 6-Chloro-9-(3-diethoxyphosphorylpropoxymethyl)purin-2-amine
• CAS: 95412-65-0
• 化学式: C₁₃H₂₁ClN₅O₄P
• 分子量: 377.768
• InChiKey: SOJZTAJPDRAFQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-amino-6-chloro-9-<(3-diethylphosphono)-1-propyloxymethyl>-9H-purine 在 sodium hydroxide 作用下， 反应 1.0h， 以2.3 g的产率得到SR3723
  参考文献：
  名称：

  Synthesis of Acyclonucleoside Phosphonates as Antiviral Agents Against Cytomegalovirus

  摘要：

  Phosphonic acid analogs of ACV and DHPG that are isosteric with ACV phosphate and DHPG phosphate have been synthesized and evaluated for antiviral activity against human, murine. and guinea pig strains of cytomegalovirus. The phosphonates showed high activity against all of the strains. They were also evaluated against a DHPG resistant strain of human cytomegalovirus. Although the activity dropped considerably, significant antiviral activity was still evident.

  DOI：

  10.1080/15257779408013261
• 作为产物：
  描述：

  3-二乙氧基磷酰丙基醋酸 在 盐酸 、 Dowex 50x8 (H⁺, 50-100 mesh) 作用下， 以 乙醇 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 122.0h， 生成 2-amino-6-chloro-9-<(3-diethylphosphono)-1-propyloxymethyl>-9H-purine
  参考文献：
  名称：

  Synthesis of Acyclonucleoside Phosphonates as Antiviral Agents Against Cytomegalovirus

  摘要：

  Phosphonic acid analogs of ACV and DHPG that are isosteric with ACV phosphate and DHPG phosphate have been synthesized and evaluated for antiviral activity against human, murine. and guinea pig strains of cytomegalovirus. The phosphonates showed high activity against all of the strains. They were also evaluated against a DHPG resistant strain of human cytomegalovirus. Although the activity dropped considerably, significant antiviral activity was still evident.

  DOI：

  10.1080/15257779408013261

文献信息

• REIST, ELMER J.;STURM, PRISCILLA A.;PONG, RONALD Y.;SIDWELL, ROBERT W., NUCLEOSIDES AND NUCLEOTIDES, 8,(1989) N-6, C. 919-922
  作者：REIST, ELMER J.、STURM, PRISCILLA A.、PONG, RONALD Y.、SIDWELL, ROBERT W.

  DOI：——

  日期：——