6-(2-amino-3,6-dimethyl-4,7-dioxo-3,4-dihydropteridin-8(7H)-yl)hexanoic acid | 1334668-12-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 6-(2-amino-3,6-dimethyl-4,7-dioxo-3,4-dihydropteridin-8(7H)-yl)hexanoic acid
• CAS: 1334668-12-0
• 化学式: C₁₄H₁₉N₅O₄
• 分子量: 321.336
• InChiKey: WFVXAAFINDGSKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  133.1
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  6-(2-amino-3,6-dimethyl-4,7-dioxo-3,4-dihydropteridin-8(7H)-yl)hexanoic acid 在 吡啶 、 三正丁胺 、 溶剂黄146 、 三乙胺 、 tri-n-butylamine pyrophosphate 、 三氯氧磷 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Nucleotides Part LXXX: Synthesis of 3′-O Fluorescence Labeled Thymidine Derivatives and Their 5′-O-Triphosphates

  摘要：

  A new labeling technique attaching a fluorescent pteridine derivative (3, 5) via a linker onto the 3'-OH group of 5'-O-dimethoxytritylthymidine (7) was developed to lead to the conjugates 8 and 11. After detritylation to give 9 and 12, the final conversion into the corresponding 5'-triphosphates (13, 14), which were isolated as sodium salts, was performed by known methods.

  DOI：

  10.1080/15257770.2011.578089
• 作为产物：
  描述：

  6-(2-amino-3-methyl-5-nitro-4-oxo-3,4-dihydropyrimidin-6-ylamino)hexanoic acid 在 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 反应 41.0h， 生成 6-(2-amino-1,8-dimethyl-6-oxo-1,6-dihydropurin-9-yl)hexanoic acid 、 6-(2-amino-3,6-dimethyl-4,7-dioxo-3,4-dihydropteridin-8(7H)-yl)hexanoic acid
  参考文献：
  名称：

  Nucleotides Part LXXX: Synthesis of 3′-O Fluorescence Labeled Thymidine Derivatives and Their 5′-O-Triphosphates

  摘要：

  A new labeling technique attaching a fluorescent pteridine derivative (3, 5) via a linker onto the 3'-OH group of 5'-O-dimethoxytritylthymidine (7) was developed to lead to the conjugates 8 and 11. After detritylation to give 9 and 12, the final conversion into the corresponding 5'-triphosphates (13, 14), which were isolated as sodium salts, was performed by known methods.

  DOI：

  10.1080/15257770.2011.578089