| 1442653-80-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 1442653-80-6
• 化学式: C₁₄H₁₇N₅O₈
• 分子量: 383.318
• InChiKey: GHOUAUDYXXEIRM-FSEIGPPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  176.22
• 氢给体数：
  4.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  3',5'-di-O-acetyl-8-oxo-7,8-dihydro-2'-deoxyguanosine 在 oxone 、 cobalt(II) chloride hexahydrate 作用下， 以 aq. phosphate buffer 为溶剂， 反应 1.0h， 生成 、
  参考文献：
  名称：

  Reaction of 3′,5′-di-O-acetyl-2′-deoxyguansoine with hypobromous acid

  摘要：

  Hypobromous acid (HOBr) is formed by eosinophil peroxidase and myeloperoxidase in the presence of H2O2, Cl-, and Br- in the host defense system of humans, protecting against invading bacteria. However, the formed HOBr may cause damage to DNA and its components in the host. When a guanine nucleoside (3',5'-di-O-acetyl-2'-deoxyguansoine) was treated with HOBr at pH 7.4, spiroiminodihydantoin, guanidinohydantoin/iminoallantoin, dehydro-iminoallantoin, diimino-imidazole, amino-imidazolone, and diamino-oxazolone nucleosides were generated in addition to an 8-bromoguanine nucleoside. The major products were spiroiminodihydantoin under neutral conditions and guanidinohydantoin/iminoallantoin under mildly acidic conditions. All the products were formed in the reaction with HOCl in the presence of Br-. These products were also produced by eosinophil peroxidase or myeloperoxidase in the presence of H2O2, Cl-, and B-. The results suggest that the products other than 8-bromoguanine may also have importance for mutagenesis by the reaction of HOBr with guanine residues in nucleotides and DNA. (C) 2013 The Authors. Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.04.060