N-(3-fluoro-4-hydroxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide | 683274-41-1

• 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-(3-fluoro-4-hydroxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
• 英文别名: 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
• CAS: 683274-41-1
• 化学式: C₁₂H₅F₆NO₃S
• 分子量: 357.233
• InChiKey: UEXGWFQQYHSFGA-UHFFFAOYSA-N

物化性质

• 沸点：
  404.1±55.0 °C(Predicted)
• 密度：
  1.766±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [11C]methyl triflate 、 N-(3-fluoro-4-hydroxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide 在 四丁基氢氧化铵 作用下， 以 乙腈 为溶剂， 反应 0.42h， 以60%的产率得到N-(3-fluoro-4-[11C]methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
  参考文献：
  名称：

  Synthesis, biodistribution and micro-PET imaging of radiolabeled antimitotic agent T138067 analogues

  摘要：

  Radiolabeled antimitotic agents [C-11]T138067 and [F-18]T138067 have been synthesized for evaluation as new potential positron emission tomography (PET) biomarkers for cancer imaging. In vivo biodistribution and micro-PET imaging of [C-11]T138067 were performed in breast cancer animal models MCF-7 transfected with IL-1alpha implanted athymic mice and MDA-MB-435 implanted athymic mice. The results suggest that the uptakes of [C-11]T138067 in both MCF-7 transfected with IL-1alpha tumor and MDA-MB-435 tumor are non-specific binding. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.061
• 作为产物：
  描述：

  2,3,4,5,6-五氟苯磺酰氯 在 三溴化硼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 N-(3-fluoro-4-hydroxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
  参考文献：
  名称：

  Synthesis, biodistribution and micro-PET imaging of radiolabeled antimitotic agent T138067 analogues

  摘要：

  Radiolabeled antimitotic agents [C-11]T138067 and [F-18]T138067 have been synthesized for evaluation as new potential positron emission tomography (PET) biomarkers for cancer imaging. In vivo biodistribution and micro-PET imaging of [C-11]T138067 were performed in breast cancer animal models MCF-7 transfected with IL-1alpha implanted athymic mice and MDA-MB-435 implanted athymic mice. The results suggest that the uptakes of [C-11]T138067 in both MCF-7 transfected with IL-1alpha tumor and MDA-MB-435 tumor are non-specific binding. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.061

文献信息

• [EN] PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE PENTAFLUOROBENZÈNESULFONAMIDE ET LEURS UTILISATIONS
  申请人：2692372 ONTARIO INC

  公开号：WO2021099842A1

  公开（公告）日：2021-05-27

  Provided herein are pentafluorobenzenesulfonamide compounds of Formula (I), pharmaceutical compositions comprising said compounds, and methods for using said compounds for the treatment of diseases. These compounds are covalent small molecule inhibitors, more specifically inhibitors of tubulin polymerization.

  本文提供了化合物的五氟苯磺酰胺的化合物（I）的化学式，包括该化合物的药物组合物，以及使用该化合物用于治疗疾病的方法。这些化合物是共价小分子抑制剂，更具体地说是微管聚合的抑制剂。
• Fei, X.; Zheng, Q.-H.; Wang, J.-Q., Journal of labelled compounds and radiopharmaceuticals, 2003, vol. 46, p. S113 - S113
  作者：Fei, X.、Zheng, Q.-H.、Wang, J.-Q.、Stone, K. L.、Martinez, T. D.、Gay, D. J.、Baity, W. L.、Mock, B. H.、Glick-Wilson, B. E.、Sullivan, M. L.、Miller, K. D.、et al.

  DOI：——

  日期：——