9-benzyl-1-oxy-9H-purin-6-ylamine | 4261-16-9

• 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-benzyl-1-oxy-9H-purin-6-ylamine
• 英文别名: 9-benzyl-1-oxy-9H-purin-6-ylamine
• CAS: 4261-16-9
• 化学式: C₁₂H₁₁N₅O
• 分子量: 241.252
• InChiKey: YDSQHNURKVIJFN-UHFFFAOYSA-N

物化性质

• 沸点：
  575.3±60.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  83.67
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  9-benzyl-1-oxy-9H-purin-6-ylamine 在 sodium hydroxide 、 Amberlite IRA-402 (HCO₃(-1)) 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 6.75h， 生成 5-Amino-1-benzyl-N'-methoxy-1H-imidazole-4-carboxamidine
  参考文献：
  名称：

  A New Synthetic Route to 2-Deuterioadenines Substituted or Unsabustituted at the 9-Position

  摘要：

  DOI：

  10.3987/r-1986-09-2449
• 作为产物：
  描述：

  5-Amino-1-benzyl-1H-imidazole-4-carboxamidine Hydrochloride 在 间氯过氧苯甲酸 作用下， 以 甲醇 为溶剂， 反应 23.0h， 生成 9-benzyl-1-oxy-9H-purin-6-ylamine
  参考文献：
  名称：

  A New Synthetic Route to 2-Deuterioadenines Substituted or Unsabustituted at the 9-Position

  摘要：

  DOI：

  10.3987/r-1986-09-2449

文献信息

• Synthesis and Antiviral Evaluation of Analogs of Adenosine-<i>N</i>¹-Oxide and 1-(Benzyloxy)Adenosine
  作者：Cecil D. Kwong、Charles A. Krauth、Anita T. Shortnacy-Fowler、Gussie Arnett、Melinda G. Hollingshead、William M. Shannon、John A. Montgomery、John A. Secrist

  DOI：10.1080/07328319808003478

  日期：1998.8

  The application of recombinant DNA technology to vaccinia virus for the purpose of developing vaccines dates back nearly twenty years. Since that time a number of recombinant vaccinia-based vaccines have been developed for both veterinary(1-16) and human(17-27) use. Recent recombinant vaccinia vaccines for human use have focused on both cancer(18,19,21-24) and AIDS.(25-27) Several. reviews that summarize recent progress with poxvirus-based vaccines are available.(28-33) Over the years various anecdotal complications with vaccinia virus inoculations have been reported,(34-36) and other human safety concerns include potentially serious adverse consequences in immunocompromised individuals, and adverse reactions in a few normal individuals.(28) Other safety concerns relative to genetic changes in the virus also exist.(32) In view of these issues, some years ago the U.S. Army embarked on a program searching for small molecule drugs that could be used for the prevention or treatment of complications associated with the administration of either vaccinia virus itself or a recombinant vector derived from it. This report presents data on a series of compounds that we prepared as a part of that program.(37).
• KRAUTH CHARLES A., SHORTANCY ANITA T., MONTGOMERY JOHN A., SECRIST III JO+, NUCLEOSIDES AND NUCLEOTIDES, 1989, 8, N5-6, 915-917
  作者：KRAUTH CHARLES A., SHORTANCY ANITA T., MONTGOMERY JOHN A., SECRIST III JO+

  DOI：——

  日期：——
• DEVLIN J. P., CAN. J. CHEM. <CJCH-AG>, 1976, 54, NO 17, 2804-2806
  作者：DEVLIN J. P.

  DOI：——

  日期：——