4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

• 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: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
• 英文别名: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• 化学式: C18H23FN8O7S
• 分子量: 514.5
• InChiKey: HYVUCTKGPNEQNH-QFAYSGSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.65
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  207
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• Stable crystal of 4-oxoquinoline compound
  申请人：Japan Tobacco, Inc.

  公开号：EP2514746A1

  公开（公告）日：2012-10-24

  The present invention provides a crystal of 6-(3-chloro-2-fluorobenzyl)-1-((S)-1-hydroxymethyl-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, which shows a particular powder X-ray diffraction pattern of a characteristic diffraction peaks at diffraction angles 2θ(°) as measured by powder X-ray diffractometry. The crystal of the present invention is superior in physical and chemical stability.

  本发明提供了6-(3-氯-2-氟苯甲基)-1-[(S)-1-羟甲基-2-甲基丙基]-7-甲氧基-4-氧代-1,4-二氢喹啉-3-羧酸的晶体，其在粉末X射线衍射仪测量下显示出特定的粉末X射线衍射图案，其特征衍射峰的衍射角度2θ(°)。本发明的晶体具有较好的物理和化学稳定性。
• MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS
  申请人：Desai Manoj C.

  公开号：US20080207620A1

  公开（公告）日：2008-08-28

  The present application provides for a compound of Formula IV, or a pharmaceutically acceptable salt, solvate, and/or ester thereof, compositions containing such compounds, therapeutic methods that include the administration of such compounds, and therapeutic methods and include the administration of such compounds with at least one additional therapeutic agent.

  本申请提供了公式IV的化合物，或其药学上可接受的盐、溶剂合物和/或酯，包含这种化合物的组合物，包括给予这种化合物的治疗方法，以及包括给予这种化合物和至少一种其他治疗剂的治疗方法。
• US8148374B2
  申请人：——

  公开号：US8148374B2

  公开（公告）日：2012-04-03