4-amino-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidin-2-one | 848087-71-8

• 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-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidin-2-one
• 英文别名: L-Fmac；4-amino-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
• CAS: 848087-71-8
• 化学式: C₁₀H₁₄FN₃O₄
• 分子量: 259.237
• InChiKey: QZZJZXAWLQYJFK-XQXXSGGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-amino-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidin-2-one 在 叔丁基氯化镁 、 羟胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.33h， 生成
  参考文献：
  名称：

  [EN] PHOSPHORAMIDATES FOR THE TREATMENT OF HEPATITIS B VIRUS
  [FR] PHOSPHORAMIDATES POUR LE TRAITEMENT DU VIRUS DE L'HÉPATITE B

  摘要：

  Disclosed are compounds and compositions to the treatment of infectious diseases and methods of treating such diseases. The compounds and compositions include derivatives of clevudine. The compounds and compositions include derivatives of clevudine in combination with another antiviral agent. The compounds and compositions include derivatives of clevudine in combination with a phosphoramidate of lamivudine, adefovir, tenofovir, telbivudine, entecavir, or combinations thereof.

  公开号：

  WO2023044104A1
• 作为产物：
  描述：

  克拉夫定 在 吡啶 、 1H-1,2,4-三唑 、 三乙胺 、 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 90.5h， 生成 4-amino-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidin-2-one
  参考文献：
  名称：

  [EN] PHOSPHORAMIDATES FOR THE TREATMENT OF HEPATITIS B VIRUS
  [FR] PHOSPHORAMIDATES POUR LE TRAITEMENT DU VIRUS DE L'HÉPATITE B

  摘要：

  Disclosed are compounds and compositions to the treatment of infectious diseases and methods of treating such diseases. The compounds and compositions include derivatives of clevudine. The compounds and compositions include derivatives of clevudine in combination with another antiviral agent. The compounds and compositions include derivatives of clevudine in combination with a phosphoramidate of lamivudine, adefovir, tenofovir, telbivudine, entecavir, or combinations thereof.

  公开号：

  WO2023044104A1

文献信息

• [EN] PHOSPHORAMIDATES FOR THE TREATMENT OF HEPATITIS B VIRUS<br/>[FR] PHOSPHORAMIDATES POUR LE TRAITEMENT DU VIRUS DE L'HÉPATITE B
  申请人：[en]EMORY UNIVERSITY

  公开号：WO2023044104A1

  公开（公告）日：2023-03-23

  Disclosed are compounds and compositions to the treatment of infectious diseases and methods of treating such diseases. The compounds and compositions include derivatives of clevudine. The compounds and compositions include derivatives of clevudine in combination with another antiviral agent. The compounds and compositions include derivatives of clevudine in combination with a phosphoramidate of lamivudine, adefovir, tenofovir, telbivudine, entecavir, or combinations thereof.