2-amino-6-(4-methoxyphenylthio)-9-{2-[bis(ethyloxycarbonyloxymethoxy)phosphonomethoxy]-ethyl}-purine | 1309973-12-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-amino-6-(4-methoxyphenylthio)-9-{2-[bis(ethyloxycarbonyloxymethoxy)phosphonomethoxy]-ethyl}-purine
• 英文别名: [2-[2-Amino-6-(4-methoxyphenyl)sulfanylpurin-9-yl]ethoxymethyl-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate；[2-[2-amino-6-(4-methoxyphenyl)sulfanylpurin-9-yl]ethoxymethyl-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate
• CAS: 1309973-12-3
• 化学式: C₂₃H₃₀N₅O₁₁PS
• 分子量: 615.558
• InChiKey: LYKWMRYEEHVMDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  41
• 可旋转键数：
  20
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  220
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  2-amino-6-(4-methoxyphenylthio)-9-{2-[bis(isopropyloxy)phosphonomethoxy]-ethyl}-purine 在 三甲基溴硅烷 、 三乙胺 作用下， 以 1-甲基吡咯烷 、 乙腈 为溶剂， 反应 2.5h， 生成 2-amino-6-(4-methoxyphenylthio)-9-{2-[bis(ethyloxycarbonyloxymethoxy)phosphonomethoxy]-ethyl}-purine
  参考文献：
  名称：

  EP2511281

  摘要：

  公开号：

文献信息

• Acyclic Nucleoside Phosphonate Derivatives and Medical Uses Thereof
  申请人：Zhong Bohua

  公开号：US20120322764A1

  公开（公告）日：2012-12-20

  The present invention relates to an acyclic nucleoside phosphonate derivative and medical uses thereof. Specifically, the present invention relates to an acyclic nucleoside phosphonate derivative of Formula I having strong potency against viruses, such as hepatitis B virus, and low cytotoxicity, or a pharmaceutically acceptable salt, isomer, hydrate or solvate thereof, wherein R 1 is H or methyl; each R 2 is independently —R 3 or —OR 3 , each R 3 is independently C 1 -C 8 alkyl, C 3 -C 8 cycloalkyl. The present invention further relates to a process for preparing the compounds of Formula I, a pharmaceutical composition comprising the compound, and the medical uses of the compound. The acyclic nucleoside phosphonate derivative of the present invention has activity against virus such as hepatitis B virus and good in vivo behavioral traits.

  本发明涉及一种无环核苷酸膦酸酯衍生物及其医药用途。具体而言，本发明涉及一种式I的无环核苷酸膦酸酯衍生物，其对病毒（如乙型肝炎病毒）具有强效力且细胞毒性低，或其药学上可接受的盐、异构体、水合物或溶剂化物，其中R1为H或甲基；每个R2独立地是—R3或—OR3，每个R3独立地是C1-C8烷基、C3-C8环烷基。本发明还涉及制备式I化合物的方法、包含该化合物的制药组合物以及该化合物的医药用途。本发明的无环核苷酸膦酸酯衍生物具有对乙型肝炎病毒等病毒的活性和良好的体内行为特性。
• ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES AND MEDICINE USES THEREOF
  申请人：Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China

  公开号：EP2511281A1

  公开（公告）日：2012-10-17

  An acyclic nucleoside phosphonate derivative and medicine use thereof are provided. In detail, an acyclic nucleoside phosphonate derivative shown in formula I is provided, which has potent antiviral activity (such as hepatitis B virus activity) and less cytotoxicity, and pharmaceutically-acceptable salts, isomers, hydrates or solvates thereof, where, R1 is selected from H or methyl; each R2 is independently selected from -R3 or -OR3; and each R3 is independently selected from C1-C8 alkyl or C3-C8 cycloalkyl. A preparation method of the compounds shown in formula I, a pharmaceutical composition containing the compounds, and a medical application thereof are also provided. The acyclic nucleoside phosphonate derivative is effective for antivirus, such as hepatitis B virus, and is good in vivo behavior attributes.

  提供了一种无环核苷膦酸盐衍生物及其药物用途。具体而言，提供了一种式 I 所示的无环核苷膦酸盐衍生物，该衍生物具有强效抗病毒活性（如乙型肝炎病毒活性）和较低的细胞毒性，并提供了其药学上可接受的盐、异构体、水合物或溶剂，其中，R1 选自 H 或甲基；每个 R2 独立地选自 -R3 或 -OR3；每个 R3 独立地选自 C1-C8 烷基或 C3-C8 环烷基。还提供了式 I 所示化合物的制备方法、含有该化合物的药物组合物及其医疗应用。该无环核苷膦酸盐衍生物对乙型肝炎病毒等抗病毒有效，并具有良好的体内行为特性。
• US9187507B2
  申请人：——

  公开号：US9187507B2

  公开（公告）日：2015-11-17