2-(1,1-dioxo-6-(methanesulfonamido)-2H-(1,2,4)-benzothiadiazin-3-yl)-1-hydroxy-3-methoxy-4-(3-methylbutyl)naphthalene | 1186212-68-9

• 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: 2-(1,1-dioxo-6-(methanesulfonamido)-2H-(1,2,4)-benzothiadiazin-3-yl)-1-hydroxy-3-methoxy-4-(3-methylbutyl)naphthalene
• 英文别名: N-[3-[1-hydroxy-3-methoxy-4-(3-methylbutyl)naphthalen-2-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide；N-[3-[1-hydroxy-3-methoxy-4-(3-methylbutyl)naphthalen-2-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
• CAS: 1186212-68-9
• 化学式: C₂₄H₂₇N₃O₆S₂
• 分子量: 517.627
• InChiKey: ULKBTXJCZJAZMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  151
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,3-dimethoxy-2-(1,1-dioxo-6-(methanesulfonamido)-2H-(1,2,4)-benzothiadiazin-3-yl)-4-(3-methylbutyl)naphthalene 在 三溴化硼 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 1.0h， 生成 2-(1,1-dioxo-6-(methanesulfonamido)-2H-(1,2,4)-benzothiadiazin-3-yl)-3-hydroxy-1-methoxy-4-(3-methylbutyl)naphthalene 、 2-(1,1-dioxo-6-(methanesulfonamido)-2H-(1,2,4)-benzothiadiazin-3-yl)-1-hydroxy-3-methoxy-4-(3-methylbutyl)naphthalene
  参考文献：
  名称：

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

  摘要：

  2-(1,1-Dioxo-2H-[1,2,4]benzothiadiazin-3-yl)-1-hydroxynaphthalene derivatives as potential anti-HCV drugs targeting NS5B polymerase have been investigated. Their synthesis, HCV NS5B polymerase inhibition and replicon activity are discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.063

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.
• HCV NS5B polymerase inhibitors 1: Synthesis and in vitro activity of 2-(1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl)-1-hydroxynaphthalene derivatives
  作者：Guangyi Wang、Yanzhen He、Jun Sun、Debasis Das、Mougang Hu、Jianhua Huang、Donald Ruhrmund、Lisa Hooi、Shawn Misialek、P.T. Ravi Rajagopalan、Antitsa Stoycheva、Brad O. Buckman、Karl Kossen、Scott D. Seiwert、Leonid Beigelman

  DOI：10.1016/j.bmcl.2009.05.063

  日期：2009.8

  2-(1,1-Dioxo-2H-[1,2,4]benzothiadiazin-3-yl)-1-hydroxynaphthalene derivatives as potential anti-HCV drugs targeting NS5B polymerase have been investigated. Their synthesis, HCV NS5B polymerase inhibition and replicon activity are discussed. (C) 2009 Elsevier Ltd. All rights reserved.