1-cyclohexylmethyl-6-fluoro-1H-benzo[d][1,3]oxazine-2,4-dione | 877142-82-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 1-cyclohexylmethyl-6-fluoro-1H-benzo[d][1,3]oxazine-2,4-dione
• 英文别名: 1-(Cyclohexylmethyl)-6-fluoro-3,1-benzoxazine-2,4-dione
• CAS: 877142-82-0
• 化学式: C₁₅H₁₆FNO₃
• 分子量: 277.295
• InChiKey: JOOYUKAQCDSWIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (7-methanesulfonylamino-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,4]thiazin-3-yl)-acetic acid ethyl ester 、 1-cyclohexylmethyl-6-fluoro-1H-benzo[d][1,3]oxazine-2,4-dione 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 (1-cyclohexylmethyl-6-fluoro-1H-benzo[d][1,3]oxazine-2,4-dione)
  参考文献：
  名称：

  Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure–activity relationships of benzothiazine-substituted quinolinediones

  摘要：

  A new series of benzothiazine-substituted quinolinediones were evaluated as inhibitors of HCV polymerase NS5B. SAR studies on this series revealed a methyl sulfonamide group as a high affinity feature. Analogues with this group showed submicromolar potencies in the HCV cell based replicon assay. Pharmacokinetic and toxicology studies were also performed on a selected compound (34) to evaluate in vivo properties of this new class of inhibitors of HCV NS5B polymerase.

  DOI：

  10.1016/j.bmcl.2009.05.004

文献信息

• Heterocyclic antiviral compounds
  申请人：Blake F. James

  公开号：US20060040927A1

  公开（公告）日：2006-02-23

  Compounds having the formula I wherein A, m and R 1 are herein defined are Hepatitis C virus polymerase inhibitors. Also disclosed are compositions and methods for treating diseases mediated by HCV and for inhibiting hepatitis replication. Also disclosed are processes for making the compounds and synthetic intermediates used in the process

  具有公式I的化合物，其中A、m和R1如本文所定义，是丙型肝炎病毒聚合酶抑制剂。还公开了用于治疗HCV介导的疾病和抑制肝炎复制的组合物和方法。还公开了制备这些化合物和用于该过程的合成中间体的方法。
• HETEROCYCLIC ANTIVIRAL COMPOUNDS
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1786807B1

  公开（公告）日：2009-07-29
• US7479489B2
  申请人：——

  公开号：US7479489B2

  公开（公告）日：2009-01-20