N-[(5Z)-5-[(5-bromofuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(5Z)-5-[(5-bromofuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
• 化学式: C₁₅H₁₁BrN₂O₄S₂
• 分子量: 427.299
• InChiKey: ZIGBEENSXYZRST-WQLSENKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[(5Z)-5-[(5-bromofuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide 在 sodium cyanoborohydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (NZ)-N-[5-[(5-bromofuran-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Synthesis of thiazolone-based sulfonamides as inhibitors of HCV NS5B polymerase

  摘要：

  Several thiazolone-based sulfonamides were prepared, utilizing various hetero-aryl sulfonyl chlorides and different aldehydes, as inhibitors of NS5B polymerase, to target HCV. The best compound showed 0.6 nM Of IC50 inhibitory activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.104
• 作为产物：
  描述：

  1-Butyl-2-p-toluolsulfonylimino-3-thiazolid-5-on 、 5-溴-2-呋喃甲醛 在 哌啶 作用下， 以 正丁醇 为溶剂， 反应 8.0h， 生成 N-[(5Z)-5-[(5-bromofuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Synthesis of thiazolone-based sulfonamides as inhibitors of HCV NS5B polymerase

  摘要：

  Several thiazolone-based sulfonamides were prepared, utilizing various hetero-aryl sulfonyl chlorides and different aldehydes, as inhibitors of NS5B polymerase, to target HCV. The best compound showed 0.6 nM Of IC50 inhibitory activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.104

文献信息

• Synthesis of thiazolone-based sulfonamides as inhibitors of HCV NS5B polymerase
  作者：Yili Ding、Kenneth L. Smith、Chamakura V.N.S. Varaprasad、Eugene Chang、John Alexander、Nanhua Yao

  DOI：10.1016/j.bmcl.2006.08.104

  日期：2007.2

  Several thiazolone-based sulfonamides were prepared, utilizing various hetero-aryl sulfonyl chlorides and different aldehydes, as inhibitors of NS5B polymerase, to target HCV. The best compound showed 0.6 nM Of IC50 inhibitory activity. (c) 2006 Elsevier Ltd. All rights reserved.