CF3SO3NPh | 252008-90-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: CF3SO3NPh
• 英文别名: Anilino trifluoromethanesulfonate
• CAS: 252008-90-5
• 化学式: C₇H₆F₃NO₃S
• 分子量: 241.191
• InChiKey: XBGFWVIEJYGZRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,4-二羟基吡啶 、 CF3SO3NPh 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 2-oxo-1,2-dihydropyridin-4-yl trifluoromethanesulfonate
  参考文献：
  名称：

  SAR studies of pyridazinone derivatives as novel glucan synthase inhibitors

  摘要：

  A novel series of pyridazinone analogs has been developed as potent beta-1,3-glucan synthase inhibitors through structure-activity relationship study of the lead 5-[4-(benzylsulfonyl)piperazin-1-yl]-4-morpholino-2-phenyl-pyridazin-3(2H)-one (1). The effect of changes to the core structure is described in detail. Optimization of the sulfonamide moiety led to the identification of important compounds with much improved systematic exposure while retaining good antifungal activity against the fungal strains Candida glabrata and Candida albicans. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.03.083

文献信息

• Verfahren zur Herstellung von Trifluormethansulfonsäure
  申请人：BAYER AG

  公开号：EP0286914B1

  公开（公告）日：1991-03-20
• US5597931A
  申请人：——

  公开号：US5597931A

  公开（公告）日：1997-01-28
• SAR studies of pyridazinone derivatives as novel glucan synthase inhibitors
  作者：Gang Zhou、Pauline C. Ting、Robert Aslanian、Jianhua Cao、David W. Kim、Rongze Kuang、Joe F. Lee、John Schwerdt、Heping Wu、R. Jason Herr、Andrew J. Zych、Jinhai Yang、Sang Lam、Samuel Wainhaus、Todd A. Black、Paul M. McNicholas、Yiming Xu、Scott S. Walker

  DOI：10.1016/j.bmcl.2011.03.083

  日期：2011.5

  A novel series of pyridazinone analogs has been developed as potent beta-1,3-glucan synthase inhibitors through structure-activity relationship study of the lead 5-[4-(benzylsulfonyl)piperazin-1-yl]-4-morpholino-2-phenyl-pyridazin-3(2H)-one (1). The effect of changes to the core structure is described in detail. Optimization of the sulfonamide moiety led to the identification of important compounds with much improved systematic exposure while retaining good antifungal activity against the fungal strains Candida glabrata and Candida albicans. Published by Elsevier Ltd.