2-amino-3-methyl-butyric acid 5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-4-hydroxy-2-hydroxymethyl-4-methyl-tetrahydro-furan-3-yl ester

• 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: 2-amino-3-methyl-butyric acid 5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-4-hydroxy-2-hydroxymethyl-4-methyl-tetrahydro-furan-3-yl ester
• 英文别名: [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] 2-amino-3-methylbutanoate
• 化学式: C₁₅H₂₄N₄O₆
• 分子量: 356.37
• InChiKey: TVRCRTJYMVTEFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  161
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  、 、 2-amino-3-methyl-butyric acid 5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-4-hydroxy-2-hydroxymethyl-4-methyl-tetrahydro-furan-3-yl ester 、 盐酸 以 乙醇 为溶剂， 以to provide 2-amino-3-methyl-butyric acid 5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-4-hydroxy-2-hydroxymethyl-4-methyl-tetrahydro-furan-3-yl ester, dihydrochloride salt as a final product的产率得到2-amino-3-methyl-butyric acid 5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-4-hydroxy-2-hydroxymethyl-4-methyl-tetrahydro-furan-3-yl ester, dihydrochloride salt
  参考文献：
  名称：

  Process for the production of 2-C-methyl-D-ribonolactone

  摘要：

  本发明提供了一种改进的制备2-C-甲基-D-核糖内酯的方法。

  公开号：

  US07598373B2

文献信息

• 2'-C-methyl-3'-O-L-valine ester ribofuranosyl cytidine for treatment of flaviviridae infections
  申请人：——

  公开号：US20040077587A1

  公开（公告）日：2004-04-22

  The 3′-L-valine ester of &bgr;-D-2′-C-methyl-ribofuranosyl cytidine provides superior results against flaviviruses and pestiviruses, including hepatitis C virus. Based on this discovery, compounds, compositions, methods and uses are provided for the treatment of flaviviridae, including HCV, that include the administration of an effective amount of val-mCyd or its salt, ester, prodrug or derivative, optionally in a pharmaceutically acceptable carrier. In an alternative embodiment, val-mCyd is used to treat any virus that replicates through an RNA-dependent RNA polymerase.

  &bgr;-D-2′-C-甲基核糖苷鸟苷的3'-L-缬氨酸酯提供了对黄病毒和猪瘟病毒（包括丙型肝炎病毒）更好的结果。基于这一发现，提供了用于治疗黄病毒科（包括HCV）的化合物、组合物、方法和用途，其中包括在药学上可接受的载体中投与有效量的缬氨酸酯-mCyd或其盐、酯、前药或衍生物。在另一种实施方式中，缬氨酸酯-mCyd被用于治疗任何通过RNA依赖性RNA聚合酶复制的病毒。
• Process for the production of 2'-branched nucleosides
  申请人：Storer Richard

  公开号：US20050020825A1

  公开（公告）日：2005-01-27

  The present invention provides an improved process for preparing β-D and β-L 2′-C-methyl-nucleosides and 2′-C-methyl-3′-O-ester nucleosides.

  本发明提供了一种改进的制备β-D和β-L 2'-C-甲基-核苷和2'-C-甲基-3'-O-酯基核苷的方法。
• 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections
  申请人：LaColla Paola

  公开号：US20070015905A1

  公开（公告）日：2007-01-18

  2′ and 3′-Prodrugs of 1′, 2′, 3′ or 4′-branched β-D or β-L nucleosides, or their pharmaceutically acceptable salts and derivatives are described, which are useful in the prevention and treatment of Flaviviridae infections and other related conditions. These modified nucleosides provide superior results against flaviviruses and pestiviruses, including hepatitis C virus and viruses generally that replicate through an RNA dependent RNA reverse transcriptase. Compounds, compositions, methods and uses are provided for the treatment of Flaviviridae infection, including HCV infection, that include the administration of an effective amount of the prodrugs of the present invention, or their pharmaceutically acceptable salts or derivatives. These drugs may optionally be administered in combination or alteration with further anti-viral agents to prevent or treat Flaviviridae infections and other related conditions.

  本文描述了1′、2′、3′或4′-支链β-D或β-L核苷的2′和3′-前药，或其药学上可接受的盐和衍生物，这些前药对于预防和治疗黄病毒科感染和其他相关疾病非常有用。这些改良核苷对黄病毒和猪瘟病毒，包括丙型肝炎病毒和一般通过RNA依赖性RNA逆转录酶复制的病毒，提供了优越的效果。本发明提供了化合物、组合物、方法和用于治疗黄病毒科感染，包括HCV感染的用于管理本发明的前药或其药学上可接受的盐或衍生物的有效量的用途。这些药物可以选择与其他抗病毒药物组合或交替使用，以预防或治疗黄病毒科感染和其他相关疾病。
• 1'-, 2'- AND 3' -MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS
  申请人：Idenix (Cayman) Limited

  公开号：EP1525209A2

  公开（公告）日：2005-04-27
• 2'-C-METHYL-3'-O-L-VALINE ESTER RIBOFURANOSYL CYTIDINE FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS
  申请人：Idenix (Cayman) Limited

  公开号：EP1536804A2

  公开（公告）日：2005-06-08