5-甲基-1-戊基嘧啶-2,4-二酮 | 77139-90-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-甲基-1-戊基嘧啶-2,4-二酮
• 英文名称: 5-methyl-1-pentyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• 英文别名: 1-pentylthymine；5-Methyl-1-pentylpyrimidine-2,4(1H,3H)-dione；5-methyl-1-pentylpyrimidine-2,4-dione
• CAS: 77139-90-3
• 化学式: C₁₀H₁₆N₂O₂
• 分子量: 196.249
• InChiKey: GTQUTMNRQOJYQR-UHFFFAOYSA-N

物化性质

• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-3-benzoylthymine 在 sodium hydroxide 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 28.0h， 生成 5-甲基-1-戊基嘧啶-2,4-二酮
  参考文献：
  名称：

  使用光信反应合成碳环嘧啶核苷 - 第一部分：醇对 N1- 与 O2-烷基化的影响

  摘要：

  描述了在 Mitsunobu 条件下溶剂对 N3-苯甲酰胸腺嘧啶的 N-与 O-烷基化的影响。Mitsunobu 反应是碳环核苷化学中用于在温和条件下将醇与杂环碱基直接偶联的重要工具。

  DOI：

  10.1055/s-2005-922746

文献信息

• Efficient formation of H-addition radical and secondary alkyl radical in pentylthymines γ-irradiated at 77 K
  作者：Nobuaki Ohta、Noriyuki Tanaka、Sotaro Ito

  DOI：10.1039/a903253c

  日期：——

  EPR detection of three pentylthymines γ-irradiated at 77 K showed the production of a 5,6-dihydro-5-thymyl radical (5-thymyl radical) as an H-addition radical and a secondary alkyl radical formed by C–H bond fission at the second carbon from the end of the pentyl group. The introduction of the pentyl group into thymine increased total radical yields at 77 K up to about twice that of thymine and considerably enhanced 5-thymyl radical yields. Several discussions on the radical formation suggest that the efficient production of 5-thymyl radical is related to the concomitant formation of the secondary radical.

  在77 K下对三个戊硫代胸苷进行γ辐照的EPR检测显示，产生了5,6-二氢-5-硫代胸苷自由基（5-硫代胸苷自由基）作为H加成自由基，以及在戊基末端第二碳位上C–H键断裂形成的次级烷基自由基。将戊基引入胸苷中，使得77 K下的总自由基产额增加到胸苷的两倍左右，并且显著提高了5-硫代胸苷自由基的产额。关于自由基形成的几个讨论表明，高效产生5-硫代胸苷自由基与伴随形成次级自由基有关。
• METHOD FOR DETERMINING ACTIVITY OF NUCLEIC-ACID-REPAIR ENZYME
  申请人：TAIWAN SUGAR CORPORATION

  公开号：US20150226671A1

  公开（公告）日：2015-08-13

  A method for determining the activity of a nucleic-acid-repair enzyme is provided. The method comprises the following steps: (i) providing a double-stranded nucleic acid molecule, which is labeled with a fluorophore and a quencher and has at least one mutated nucleotide in either strand; (ii) mixing the double-stranded nucleic acid molecule, S1 nuclease, and the sample to obtain a mixture; and measuring the fluorescence intensity of the mixture.
• [EN] CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION<br/>[FR] ANALOGUES DE LA CYCLOSPORINE POUR PRÉVENIR OU TRAITER UNE INFECTION PAR L'HÉPATITE C
  申请人：ENANTA PHARM INC

  公开号：WO2010088573A1

  公开（公告）日：2010-08-05

  The present invention relates to cyclosporin analogues having antiviral activity against HCV and useful in the treatment of HCV infections. More particularly, the invention relates to novel cyclosporin analogue compounds, compositions containing such compounds and methods for using the same, as well as processes for making such compounds.
• [EN] CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C<br/>[FR] ANALOGUES DE CYCLOSPORINE POUR PRÉVENIR OU TRAITER UNE HÉPATITE C
  申请人：ENANTA PHARM INC

  公开号：WO2015031381A1

  公开（公告）日：2015-03-05

  The present invention relates to novel cyclosporine analogues having antiviral activity against HCV and useful in the treatment of HCV infections. More particularly, the invention relates to novel cyclosporine analogue compounds, compositions containing such compounds and methods for using the same, as well as processes for making such compounds.
• Synthesis of Carbocyclic Pyrimidine Nucleosides Using the Mitsunobu Reaction - Part I: Influence of the Alcohol on N1- versus O²-Alkylation
  作者：Chris Meier、Olaf R. Ludek

  DOI：10.1055/s-2005-922746

  日期：——

  The influence of the solvent on N- vs O-alkylation of N3-benzoylthymine under Mitsunobu conditions is described. The Mitsunobu reaction is an important tool in carbocyclic nucleoside chemistry for the direct coupling of alcohols with heterocyclic bases under mild conditions.

  描述了在 Mitsunobu 条件下溶剂对 N3-苯甲酰胸腺嘧啶的 N-与 O-烷基化的影响。Mitsunobu 反应是碳环核苷化学中用于在温和条件下将醇与杂环碱基直接偶联的重要工具。