propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• 化学式: C₂₂H₂₉FN₃O₁₀P
• 分子量: 545.459
• InChiKey: NIJYGVDQZBBONK-GNLCFUKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  37
• 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：
  173
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  [(2S,3S,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-4-methyloxolan-2-yl]methyl benzoate 在 ammonium hydroxide 、 甲酸 、 异丙基氯化镁 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 2.26h， 生成 propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate 、 propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
  参考文献：
  名称：

  SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF

  摘要：

  本文披露了核苷、核苷酸和核苷酸类似物，其合成方法以及利用一个或多个核苷、核苷酸和核苷酸类似物治疗冠状病毒科病毒、托加病毒科病毒、肝炎病毒科病毒和/或布尼亚病毒科病毒感染的方法。

  公开号：

  US20150366888A1

文献信息

• COMBINATION THERAPY REGIMEN FOR TREATMENT OF HCV
  申请人：JANSSEN PHARMACEUTICALS, INC.

  公开号：US20170087174A1

  公开（公告）日：2017-03-30

  A composition, including a fixed dose composition, comprising Compound (I), Compound (II), and Compound (III) for the treatment of hepatitis C, and methods of manufacture thereof.

  一种包括固定剂量组成，包括化合物(I)，化合物(II)和化合物(III)的组合物，用于治疗丙型肝炎，以及其制造方法。
• SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS
  申请人：Janssen BioPharma, Inc.

  公开号：EP3797782A1

  公开（公告）日：2021-03-31

  Disclosed herein are nucleosides, nucleotides and nucleotide analogs, methods of synthesizing the same and methods of treating diseases and/or conditions such as a Coronaviridae virus, a Togaviridae virus, a Hepeviridae virus and/or a Bunyaviridae virus infection with one or more nucleosides, nucleotides and nucleotide analogs.

  本文公开了核苷、核苷酸和核苷酸类似物、合成方法以及用一种或多种核苷、核苷酸和核苷酸类似物治疗冠状病毒科病毒、妥加病毒科病毒、肝病毒科病毒和/或布尼亚病毒科病毒感染等疾病和/或病症的方法。
• Substituted nucleosides, nucleotides and analogs thereof
  申请人：Alios BioPharma, Inc.

  公开号：US10370401B2

  公开（公告）日：2019-08-06

  Disclosed herein are nucleosides, nucleotides and nucleotide analogs, methods of synthesizing the same and methods of treating diseases and/or conditions such as a Picornavirus and/or Flaviviridae infection with one or more nucleosides, nucleotides and nucleotide analogs.

  本文公开了核苷、核苷酸和核苷酸类似物、合成核苷、核苷酸类似物的方法，以及用一种或多种核苷、核苷酸和核苷酸类似物治疗疾病和/或病症（如Picornavirus和/或Flaviviridae感染）的方法。
• COMBINATION DRUG TREATMENT FOR HEPATITIS C INFECTION
  申请人：JANSSEN PHARMACEUTICALS, INC.

  公开号：US20170319572A1

  公开（公告）日：2017-11-09

  A composition, including a fixed dose composition, comprising Compound (I), Compound (II), and Compound (III) for the treatment of hepatitis C, and methods of manufacture thereof.
• Combination Therapy Regimen For Treatment Of Selected HCV Genotypes
  申请人：JANSSEN PHARMACEUTICALS, INC.

  公开号：US20180021360A1

  公开（公告）日：2018-01-25

  A method for the treatment of hepatitis C infection genotype 1, 2, 4, 5, or 6, but not genotype 3 is provided comprising administering an effective amount of a combination of Compound (I), Compound (II), and Compound (III), or independently optionally their pharmaceutically acceptable salt, solvate or hydrate, optionally in a solid fixed dose composition.