trifluoromethanesulfonic acid 6-fluoronaphthalen-2-yl ester | 373380-86-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: trifluoromethanesulfonic acid 6-fluoronaphthalen-2-yl ester
• 英文别名: 6-Fluoro-2-naphthyl trifluoromethanesulfonate；(6-Fluoronaphthalen-2-yl) trifluoromethanesulfonate；(6-fluoronaphthalen-2-yl) trifluoromethanesulfonate
• CAS: 373380-86-0
• 化学式: C₁₁H₆F₄O₃S
• 分子量: 294.226
• InChiKey: VFFVJPDOVURYPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  trifluoromethanesulfonic acid 6-fluoronaphthalen-2-yl ester 在 sodium hydroxide 、 锌 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 5-Bromo-N-((E)-3-{5-chloro-2-[(6-fluoro-2-naphthyl)methyl]phenyl}-2-propenoyl)-2-methoxybenzenesulfonamide
  参考文献：
  名称：

  Structure–activity relationship of cinnamic acylsulfonamide analogues on the human EP3 prostanoid receptor

  摘要：

  Potent and selective antagonists of the human EP3 receptor have been identified. The structure-activity relationship of the chemical series was conducted and we found several analogues displaying sub-nanomolar K-i values at the EP3 receptor and micromolar activities at the EP1, EP2 and EP4 receptors. The effect of added human serum albumin (HSA) on the binding affinity at the EP3 receptor was also investigated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00110-9

文献信息

• Pharmaceutical compounds
  申请人：——

  公开号：US20040122001A1

  公开（公告）日：2004-06-24

  This invention relates to compounds of formula (I) where R 1 to R 12 , —W—V—, —X—Y—, m and n have the values defined in claim 1, their preparation and use as pharmaceuticals. 1

  这项发明涉及到式(I)的化合物，其中R1至R12，—W—V—，—X—Y—，m和n的值如权利要求1中定义的，它们的制备和用作药物。
• PHARMACEUTICAL COMPOUNDS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1345930A2

  公开（公告）日：2003-09-24
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2002050067A2

  公开（公告）日：2002-06-27

  This invention relates to compounds of formula (I) where R?1 to R12¿, -W-V-, -X-Y-, m and n have the values defined in claim 1, their preparation and use as pharmaceuticals.
• Structure–activity relationship of cinnamic acylsulfonamide analogues on the human EP3 prostanoid receptor
  作者：Hélène Juteau、Yves Gareau、Marc Labelle、Claudio F Sturino、Nicole Sawyer、Nathalie Tremblay、Sonia Lamontagne、Marie-Claude Carrière、Danielle Denis、Kathleen M Metters

  DOI：10.1016/s0968-0896(01)00110-9

  日期：2001.8

  Potent and selective antagonists of the human EP3 receptor have been identified. The structure-activity relationship of the chemical series was conducted and we found several analogues displaying sub-nanomolar K-i values at the EP3 receptor and micromolar activities at the EP1, EP2 and EP4 receptors. The effect of added human serum albumin (HSA) on the binding affinity at the EP3 receptor was also investigated. (C) 2001 Elsevier Science Ltd. All rights reserved.