2-Oxo-oxazolidine-3-sulfonic acid {3-[4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl]-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-7-yl}-amide | 691361-94-1

• 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-Oxo-oxazolidine-3-sulfonic acid {3-[4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl]-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-7-yl}-amide
• 英文别名: N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]-2-oxo-1,3-oxazolidine-3-sulfonamide；N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]-2-oxo-1,3-oxazolidine-3-sulfonamide
• CAS: 691361-94-1
• 化学式: C₂₃H₂₄N₆O₈S₂
• 分子量: 576.611
• InChiKey: KFOPGSPIQGAFIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  204
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-Oxo-oxazolidine-3-sulfonic acid {3-[4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl]-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-7-yl}-amide 、 苯胺 以 二氯甲烷 、 乙腈 为溶剂， 反应 24.0h， 生成 3-[1,1-dioxo-7-(phenylsulfamoylamino)-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-4-hydroxy-1-isopentyl-1,8-naphthyridin-2-one
  参考文献：
  名称：

  Inhibitors of HCV NS5B polymerase: Synthesis and structure–activity relationships of N-alkyl-4-hydroxyquinolon-3-yl-benzothiadiazine sulfamides

  摘要：

  Substituted N-alkyl-4-hydroxyquinolon-3-yl-benzothiadiazine sulfamides were investigated as inhibitors of genotype I HCV polymerase. Structure-activity relationship patterns for this class of compounds are discussed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.015
• 作为产物：
  描述：

  2-chloroethyl ({3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}amino)sulfonylcarbamate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以82%的产率得到2-Oxo-oxazolidine-3-sulfonic acid {3-[4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl]-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-7-yl}-amide
  参考文献：
  名称：

  Inhibitors of HCV NS5B polymerase: Synthesis and structure–activity relationships of N-alkyl-4-hydroxyquinolon-3-yl-benzothiadiazine sulfamides

  摘要：

  Substituted N-alkyl-4-hydroxyquinolon-3-yl-benzothiadiazine sulfamides were investigated as inhibitors of genotype I HCV polymerase. Structure-activity relationship patterns for this class of compounds are discussed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.015

文献信息

• Anti-infective agents
  申请人：——

  公开号：US20040162285A1

  公开（公告）日：2004-08-19

  Compounds having the formula 1 are hepatitis C(HCV) polymerase inhibitors. Also disclosed are a composition and method for inhibiting hepatitis C(HCV) polymerase, processes for making the compounds, and synthetic intermediates employed in the processes.

  具有公式1的化合物是丙型肝炎病毒（HCV）聚合酶抑制剂。还公开了一种用于抑制丙型肝炎病毒（HCV）聚合酶的组成和方法，用于制造这些化合物的过程，以及在这些过程中使用的合成中间体。
• ANTI-INFECTIVE AGENTS
  申请人：ABBOTT LABORATORIES

  公开号：EP1560827B1

  公开（公告）日：2010-12-29
• US7902203B2
  申请人：——

  公开号：US7902203B2

  公开（公告）日：2011-03-08