2-(1-(tert-butyl)-2-(5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)hydrazinyl)acetic acid trifluoroacetate | 1422051-33-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 2-(1-(tert-butyl)-2-(5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)hydrazinyl)acetic acid trifluoroacetate
• 英文别名: N-(tert-butyl)-N-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)glycine；2-[tert-butyl-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]amino]acetic acid
• CAS: 1422051-33-9
• 化学式: C₁₇H₁₈F₂N₆O₂
• 分子量: 376.366
• InChiKey: FWEPEQCPHBWQRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethyl N-(tert-butyl)-N-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)glycinate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以47 %的产率得到2-(1-(tert-butyl)-2-(5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)hydrazinyl)acetic acid trifluoroacetate
  参考文献：
  名称：

  Synthesis and structure-activity optimization of 7-azaindoles containing aza-β-amino acids targeting the influenza PB2 subunit

  摘要：

  DOI：

  10.1016/j.ejmech.2023.115185

文献信息

• [EN] INHIBITORS OF INFLUENZA VIRUSES REPLICATION<br/>[FR] INHIBITEURS DE LA RÉPLICATION DES VIRUS DE LA GRIPPE
  申请人：VERTEX PHARMA

  公开号：WO2013019828A1

  公开（公告）日：2013-02-07

  Methods of inhibiting the replication of influenza viruses in a biological sample or patient, of reducing the amount of influenza viruses in a biological sample or patient, and of treating influenza in a patient, comprises administering to said biological sample or patient an effective amount of a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (I) are as described herein. A compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (I) are as described herein. A pharmaceutical composition comprises an effective amount of such a compound or pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, adjuvant or vehicle.

  抑制流感病毒在生物样本或患者中复制的方法，减少生物样本或患者中流感病毒的数量，以及治疗患者的流感，包括向该生物样本或患者投与有效量的由结构式（I）表示的化合物或其药用盐，其中结构式（I）的数值如本文所述。一种化合物由结构式（I）或其药用盐表示，其中结构式（I）的数值如本文所述。一种药物组合物包括有效量的这种化合物或其药用盐，以及药用载体、佐剂或载体。
• INHIBITORS OF INFLUENZA VIRUSES REPLICATION
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150191468A1

  公开（公告）日：2015-07-09

  Methods of inhibiting the replication of influenza viruses in a biological sample or patient, of reducing the amount of influenza viruses in a biological sample or patient, and of treating influenza in a patient, comprises administering to said biological sample or patient an effective amount of a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (I) are as described herein. A compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (I) are as described herein. A pharmaceutical composition comprises an effective amount of such a compound or pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, adjuvant or vehicle.

  抑制生物样本或患者中流感病毒复制、减少生物样本或患者中流感病毒数量、以及治疗患者的流感的方法包括向该生物样本或患者投与以下结构式（I）所代表的化合物的有效量或其药学上可接受的盐，其中结构式（I）的数值如本文所述。该化合物可表示为结构式（I)或其药学上可接受的盐，其中结构式（I）的数值如本文所述。一种药物组合物包括有效量的该化合物或其药学上可接受的盐以及药学上可接受的载体、佐剂或载体。
• Inhibitors of influenza viruses replication
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US10875855B2

  公开（公告）日：2020-12-29

  Methods of inhibiting the replication of influenza viruses in a biological sample or patient, of reducing the amount of influenza viruses in a biological sample or patient, and of treating influenza in a patient, comprises administering to said biological sample or patient an effective amount of a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (I) are as described herein. A compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (I) are as described herein. A pharmaceutical composition comprises an effective amount of such a compound or pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, adjuvant or vehicle.

  抑制生物样本或患者体内流感病毒复制、减少生物样本或患者体内流感病毒数量以及治疗患者流感的方法，包括向所述生物样本或患者施用有效量的结构式（I）所代表的化合物： 或其药学上可接受的盐，其中结构式（I）的值如本文所述。一种化合物由结构式（I）或其药学上可接受的盐表示，其中结构式（I）的值如本文所述。药物组合物包含有效量的此类化合物或其药学上可接受的盐，以及药学上可接受的载体、佐剂或载体。
• US9051319B2
  申请人：——

  公开号：US9051319B2

  公开（公告）日：2015-06-09
• US9394302B2
  申请人：——

  公开号：US9394302B2

  公开（公告）日：2016-07-19