N-[3-[4-hydroxy-7-methyl-7-(3-methylbutyl)-6-oxopyrazolo[1,5-a]pyridin-5-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide | 1186307-45-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: N-[3-[4-hydroxy-7-methyl-7-(3-methylbutyl)-6-oxopyrazolo[1,5-a]pyridin-5-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide
• 英文别名: N-[3-[4-hydroxy-7-methyl-7-(3-methylbutyl)-6-oxopyrazolo[1,5-a]pyridin-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
• CAS: 1186307-45-8
• 化学式: C₂₁H₂₅N₅O₆S₂
• 分子量: 507.591
• InChiKey: FONOCVHQLNNDAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  177
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-amino-5-(methanesulfonylamino)benzenesulfonamide 、 Ethyl 4-hydroxy-7-methyl-7-(3-methylbutyl)-6-oxopyrazolo[1,5-a]pyridine-5-carboxylate 在 polyphosphoric acid trimethyl ester 作用下， 反应 1.5h， 以13%的产率得到N-[3-[4-hydroxy-7-methyl-7-(3-methylbutyl)-6-oxopyrazolo[1,5-a]pyridin-5-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide
  参考文献：
  名称：

  HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives

  摘要：

  (1,1-二氧-2H-[1,2,4]苯并硫二嗪-3-基)的偶氮[1,5-a]吡啶和偶氮[1,5-a]吡rimidine衍生物作为潜在的抗丙型肝炎病毒药物已受到研究关注。本文探讨了这些物质的合成、针对HCV NS5B聚合酶的抑制作用及其复制子活性。© 2009 Elsevier Ltd. 保留所有权利。

  DOI：

  10.1016/j.bmcl.2009.05.022

文献信息

• Novel Inhibitors of Hepatitis C Virus Replication
  申请人：Beigelman Leonid

  公开号：US20090257979A1

  公开（公告）日：2009-10-15

  The embodiments provide compounds of the general Formula I, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  实施例提供了一般式I的化合物，以及包括药物组合物在内的组合物，其中包括一种主体化合物。实施例进一步提供了治疗方法，包括治疗丙型肝炎病毒感染的方法和治疗肝纤维化的方法，这些方法通常涉及向需要的个体施用一种主体化合物或组合物的有效量。
• [EN] NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION<br/>[FR] NOUVEAUX INHIBITEURS DE RÉPLICATION DU VIRUS DE L'HÉPATITE C
  申请人：INTERMUNE INC

  公开号：WO2009134616A2

  公开（公告）日：2009-11-05

  The embodiments provide compounds of the general Formula I, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.