N-[4-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide

• 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-[4-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
• 化学式: C₂₇H₂₀F₆N₂O₄S₂
• 分子量: 614.6
• InChiKey: YXLCIRNFIKEAOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• [EN] BISSULFONAMIDE DERIVATIVES AS INHIBITORS OF DEHYDROQUINATE SYNTHETASES AND TYPE II DEHYDROQUINASES<br/>[FR] DERIVES DE BIS-SULFONAMIDE UTILISES COMME INHIBITEURS DES DESHYDROQUINATE-SYNTHETASES ET DES DESHYDROQUINASES DE TYPE II
  申请人：ARROW THERAPEUTICS LTD

  公开号：WO2002083629A1

  公开（公告）日：2002-10-24

  Use of a bissulfonamide derivative of formula (I), or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for use in inhibiting the biosynthesis of aromatic amino acids via the shikimate pathway, wherein: R1 and R2 are the same or different and each represent hydrogen or alkyl or R1 and R2 together form a C1-c3 alkylene group, -CO- or -CS-; R3 and R4 are the same or different and each represent -alkyl-aryl, -alkyl-heteroaryl, -alkenyl-aryl, -alkenyl-heteroalyl, -alkynyl-aryl-alkynylt-heteroaryl, aryl or heteroaryl; R5, R7 and R8 are the same or different and are hydrogen, halogen or hydroxy; and R6 is furanyl, thienyl, imidazolyl, pyrazolyl, thiazolyl, pyridyl, pyrimidinyl, benzofuranyl or benzothienyl.