4-Amino-1-((2R,3S,5S)-3-fluoro-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidin-2-one

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: 4-Amino-1-((2R,3S,5S)-3-fluoro-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidin-2-one
• 英文别名: 4-Amino-1-(3-fluoro-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidin-2-one；4-amino-1-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
• 化学式: C₉H₁₂FN₃O₂S
• 分子量: 245.278
• InChiKey: QWNTZGKKIKDDAZ-VMHSAVOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione 生成 4-Amino-1-((2R,3S,5S)-3-fluoro-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidin-2-one
  参考文献：
  名称：

  Synthesis and Biological Activity of Sugar-Fluorinated 2',3'-dideoxy-4'-thioribofuranosyl Nucleosides

  摘要：

  DOI：

  10.1080/15257779508012426

文献信息

• [EN] DINUCLEOTIDE COMPOUNDS FOR TREATING CANCERS AND MEDICAL USES THEREOF<br/>[FR] COMPOSÉS DINUCLÉOTIDIQUES POUR LE TRAITEMENT DE CANCERS ET LEURS UTILISATIONS MÉDICALES
  申请人：PINOTBIO INC

  公开号：WO2021020879A1

  公开（公告）日：2021-02-04

  The present disclosure provides the dinucleotide compounds which is useful for treating various cancers. The present disclosure also provides a composition comprising the compound or its pharmaceutically acceptable salt. The present disclosure also provides a medical use of the compound, its salt or the composition comprising the compound or its pharmaceutically acceptable salt for treating cancer. The present disclosure also provides a method of treatment of cancer comprising administering the compound, its salt or the composition comprising the compound or its salt to a subject in need of such treatment.

  本公开提供了二核苷酸化合物，用于治疗各种癌症。本公开还提供了包含该化合物或其药用盐的组合物。本公开还提供了该化合物、其盐或包含该化合物或其药用盐的组合物用于治疗癌症的医疗用途。本公开还提供了一种治疗癌症的方法，包括向需要此类治疗的受试者投与该化合物、其盐或包含该化合物或其盐的组合物。
• SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-SS-D-ARABINOFURANOSYL)CYTOSINE
  申请人：Fujifilm Corporation

  公开号：EP3184112A1

  公开（公告）日：2017-06-28

  Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine A compound represented by the formula [1F]: wherein R1 represents a hydrogen atom or a hydroxyl protecting group; R2 represents a hydrogen atom or a hydroxyl-protecting group; R3C represents a hydrogen atom, a halogen atom, an optionally substituted alkyl group or -OR3a corresponding to a hydroxyl-protecting group; R3D represents a hydrogen atom, a halogen atom, an optionally substituted alkyl group or -OR3a corresponding to a hydroxyl-protecting group; R4 represents a halogen atom, a hydroxyl group, an optionally substituted alkylsulfonyloxy group or an optionally substituted arylsulfonyloxy group; R5 and R6 together represent =O or =NOR7 wherein R7 represents a hydrogen atom, an optionally substituted alkyl group, an optionally substituted aryl group, an optionally substituted heterocyclic group or an optionally substituted silyl group; or R4 and R5 together represent a sulfur atom; and R6 represents a hydroxyl group. The compound is useful as an intermediate for producing a thionucleoside.

  1-(2-脱氧-2-氟-4-硫代-β-D-阿拉伯呋喃糖基)胞嘧啶的合成中间体 由式[1F]表示的化合物： 其中 R1 代表氢原子或羟基保护基团； R2 代表氢原子或羟基保护基团； R3C 代表氢原子、卤素原子、任选取代的烷基或与羟基保护基团相对应的-OR3a； R3D 代表氢原子、卤素原子、任选取代的烷基或与羟基保护基团相对应的-OR3a；R4 代表卤原子、羟基、任选取代的烷基磺酰氧基或任选取代的芳基磺酰氧基；R5 和 R6 共同代表 =O 或 =NOR7 其中 R7 代表氢原子、任选取代的烷基、任选取代的芳基、任选取代的杂环基或任选取代的硅基；或 R4 和 R5 共同代表硫原子；R6 代表羟基。该化合物可用作生产硫代核苷的中间体。
• SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE
  申请人：FUJIFILM Corporation

  公开号：EP3184112B1

  公开（公告）日：2020-12-23
• Synthesis and Biological Activity of Sugar-Fluorinated 2',3'-dideoxy-4'-thioribofuranosyl Nucleosides
  作者：Victor Marquez、Lak Jeong、Marc Nicklaus、Cliff George

  DOI：10.1080/15257779508012426

  日期：1995.5.1