(2S)-isopropyl 2-(((((2R,3R.4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1 (2H)-yl)-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorothioyl)amino)propanoate | 1365634-49-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: (2S)-isopropyl 2-(((((2R,3R.4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1 (2H)-yl)-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorothioyl)amino)propanoate
• 英文别名: 2'-methyluridine；propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
• CAS: 1365634-49-6
• 化学式: C₂₂H₃₀N₃O₉PS
• 分子量: 543.535
• InChiKey: XFJMOMBVBMXWCV-LSIHWPSTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  188
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2'-methyluridine 在 N-甲基咪唑 、 甲酸 、 水 作用下， 以 甲醇 、 二氧化碳 、 乙腈 为溶剂， 反应 3.5h， 生成 (S)-isopropyl 2-(((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorothioyl)amino)propanoate 、 (2S)-isopropyl 2-(((((2R,3R.4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1 (2H)-yl)-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorothioyl)amino)propanoate
  参考文献：
  名称：

  SUBSTITUTED NUCLEOTIDE ANALOGS

  摘要：

  本文披露了磷酸硫代酯核苷类似物，合成磷酸硫代酯核苷类似物的方法，以及利用磷酸硫代酯核苷类似物治疗病毒感染、癌症和/或寄生虫病等疾病和/或症状的方法。

  公开号：

  US20120071434A1

文献信息

• METHODS OF PREPARING SUBSTITUTED NUCLEOTIDE ANALOGS
  申请人：ALIOS BIOPHARMA, INC.

  公开号：US20130253181A1

  公开（公告）日：2013-09-26

  Disclosed herein are methods of preparing a phosphorothioate nucleotide analog, which are useful in treating diseases and/or conditions such as viral infections.

  本文披露了一种制备磷酸硫酯核苷酸类似物的方法，该方法对于治疗病毒感染等疾病和/或病况非常有用。
• [EN] METHODS OF STEREOSELECTIVE SYNTHESIS OF SUBSTITUTED NUCLEOSIDE ANALOGS<br/>[FR] MÉTHODES DE SYNTHÈSE STÉRÉOSÉLECTIVE D'ANALOGUES NUCLÉOSIDIQUES SUBSTITUÉS
  申请人：VERTEX PHARMA

  公开号：WO2014164533A8

  公开（公告）日：2015-07-23
• [EN] SOLID FORMS OF A THIOPHOSPHORAMIDATE NUCLEOTIDE PRODRUG<br/>[FR] FORMES SOLIDES D'UN PROMÉDICAMENT NUCLÉOTIDIQUE THIOPHOSPHORAMIDATE
  申请人：VERTEX PHARMA

  公开号：WO2013142124A8

  公开（公告）日：2014-05-15
• PHARMACEUTICAL COMBINATIONS COMPRISING A THIONUCLEOTIDE ANALOG
  申请人：ALIOS BIOPHARMA, INC.

  公开号：US20130252920A1

  公开（公告）日：2013-09-26

  Disclosed herein are pharmaceutical compositions that can include a thionucleotide analog for use in combination therapy with other agents. Also disclosed herein are methods of treating diseases and/or conditions with a pharmaceutical composition that can include a thionucleotide analog in combination therapy with other agents.
• Solid Forms of a Thiophosphoramidate Nucleotide Prodrug
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130266538A1

  公开（公告）日：2013-10-10

  The present application relates to solid state forms, for example, crystalline forms of 2′-C-methyluridine-5′-(O-phenyl-N—(S)-1-(isopropoxycarbonyl)ethyl)thiophosphoramidate, pharmaceutical compositions that can include one or more solid forms of 2′-C-methyluridine-5′-(O-phenyl-N—(S)-1-(isopropoxycarbonyl)ethyl)thiophosphoramidate, and methods of treating or ameliorating diseases and/or conditions with one or more solid forms of 2′-C-methyluridine-5′-(O-phenyl-N—(S)-1-(isopropoxycarbonyl)ethyl)thiophosphoramidate. Also disclosed herein are methods of treating diseases and/or conditions with one or more solid forms of 2′-C-methyluridine-5′-(O-phenyl-N—(S)-1-(isopropoxycarbonyl)ethyl)thiophosphoramidate in combination with one or more other agents.