3'-脱氧-3'-氟胸苷-5'-单磷酸-d3二钠盐 | 25520-83-6

• 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: 3'-脱氧-3'-氟胸苷-5'-单磷酸-d3二钠盐
• 英文名称: phosphoric acid mono[3-fluoro-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)tetrahyrofuran-2-ylmethyl] ester
• 英文别名: FLTMP；3'-Fluoro-3'-deoxythymidine 5'-monophosphate；[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
• CAS: 25520-83-6
• 化学式: C₁₀H₁₄FN₂O₇P
• 分子量: 324.203
• InChiKey: GGCAVPJXJISBOA-XLPZGREQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3'-脱氧-3'-氟胸苷-5'-单磷酸-d3二钠盐 在 Mycobacterium tuberculosis 、 5’-三磷酸腺苷 作用下， 生成 [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
  参考文献：
  名称：

  胸苷和胸苷5'-O-单磷酸酯类似物可作为结核分枝杆菌胸苷酸激酶的抑制剂。

  摘要：

  评估了一系列2'，3'-和5-修饰的胸苷类似物对结核分枝杆菌胸苷单磷酸激酶（TMPKmt）的亲和力。几种非磷酸化类似物的亲和力与其磷酸化同类物的亲和力处于相同的数量级。考虑到与磷酸化化合物有关的药物传递问题，这些“游离”核苷似乎在寻找TMPKmt抑制剂作为新型抗结核药方面更具前景。

  DOI：

  10.1016/s0960-894x(03)00643-7
• 作为产物：
  描述：

  5'-O-tritylthymidine 在 吡啶 、 磷酸三甲酯 、 sodium hydroxide 、 溶剂黄146 、 4,4'-二氨基二苯乙烯-2,2'-二磺酸 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 生成 3'-脱氧-3'-氟胸苷-5'-单磷酸-d3二钠盐
  参考文献：
  名称：

  Synthesis and evaluation of thymidine-5′-O-monophosphate analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase

  摘要：

  A number of 2'- and 3'-modified thymidine 5'-O-monophosphate analogues were synthesized as potential leads for new anti-mycobacterial drugs. Evaluation of their affinity for Mycobacterium tuberculosis thymidine monophosphate kinase showed that a 2'-halogeno substituent and a 3'-azido function are the most favorable leads for further development of potent inhibitors of this enzyme. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00551-6

文献信息

• ANTIVIRAL COMPOUNDS AND COMPOSITIONS
  申请人：Quart Barry D.

  公开号：US20080249066A1

  公开（公告）日：2008-10-09

  Described herein are compounds useful in the treatment of viral diseases, compositions comprising them and methods of using them. The compounds comprise a nucleoside or nucleoside analog linked, commonly through a phosphate group to one of a selected group of lipids. In some embodiments, the compounds described herein are useful for treating HIV infection, AIDS and other viral infections.

  本文描述了用于治疗病毒性疾病的化合物，包括这些化合物的组合物以及使用它们的方法。这些化合物包括一个核苷或核苷类似物，通常通过磷酸酯基团连接到一组选定的脂质之一。在某些实施例中，本文描述的化合物可用于治疗HIV感染、艾滋病和其他病毒感染。
• LIPID CLEAVAGE ENZYME
  申请人：——

  公开号：US20020106363A1

  公开（公告）日：2002-08-08

  A membranous enzyme not yet described in the state-of-the-art can be extracted from cellular membrane fractions of blood leukocytes or monocytes/macrophages. Also disclosed is the use of substrates of this enzyme to prepare medicaments that contain these substrates as pharmaceutical active substance. These medicaments are useful to direct pharmacologically active substances to target cells and to enrich target cells with said substances. Also disclosed are in-vitro research systems containing this enzyme used to detect other substrates of this enzyme.

  一种尚未在现代技术中描述的膜酶可以从血液白细胞或单核/巨噬细胞的细胞膜分离物中提取。还公开了使用该酶底物制备含有这些底物作为药物活性成分的药物的用途。这些药物可用于将药理活性物质定向到目标细胞并用该物质富集目标细胞。还公开了含有该酶的体外研究系统，用于检测该酶的其他底物。
• SOLID INSTANT-RELEASE FORMS OF ADMINISTRATION AND PROCESS FOR PRODUCING THE SAME
  申请人：——

  公开号：US20020122817A1

  公开（公告）日：2002-09-05

  The present invention concerns solid instant-release forms of administration (IR form of administration) comprising therapeutic active substances or active substance concentrates in particular lipid conjugates of nucleosides which have gel-forming properties in aqueous media as well as processes for their production.

  本发明涉及固体速释给药形式（IR 给药形式），包括治疗活性物质或活性物质浓缩物，特别是在水介质中具有凝胶形成特性的核苷类脂质共轭物及其生产工艺。
• Lapid cleavage enzyme
  申请人：Heidelberg Pharma Holding GmbH

  公开号：US20030082167A1

  公开（公告）日：2003-05-01

  A membranous enzyme not yet described in the state-of-the-art can be extracted from cellular membrane fractions of blood leukocytes or monocytes/macrophages. Also disclosed is the use of substrates of this enzyme to prepare medicaments that contain these substrates as pharmaceutical active substance. These medicaments are useful to direct pharmacologically active substances to target cells and to enrich target cells with said substances. Also disclosed are in-vitro research systems containing this enzyme used to detect other substrates of this enzyme.

  可以从血液白细胞或单核细胞/巨噬细胞的细胞膜分馏物中提取一种尚未在最新技术中描述的膜酶。 还公开了利用这种酶的底物制备含有这些底物作为药用活性物质的药物。 这些药剂可将药理活性物质导向靶细胞，并用上述物质富集靶细胞。 还公开了含有这种酶的体外研究系统，用于检测这种酶的其它底物。
• Enzymatic 5′-monophosphorylation of modified nucleosides
  作者：A. I. Zinchenko、V. N. Barai、I. A. Mikhailopulo

  DOI：10.1007/bf00598099

  日期：1989.9