2-Hydroxy-4,6-dioxo-6-(2-trifluoromethyl-phenyl)-hex-2-enoic Acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Hydroxy-4,6-dioxo-6-(2-trifluoromethyl-phenyl)-hex-2-enoic Acid
• 英文别名: (Z)-2-hydroxy-4,6-dioxo-6-[2-(trifluoromethyl)phenyl]hex-2-enoic acid
• 化学式: C₁₃H₉F₃O₅
• 分子量: 302.207
• InChiKey: ISTIVMCGBCYABN-WDZFZDKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• HIV integrase inhibitors
  申请人：——

  公开号：US20020123527A1

  公开（公告）日：2002-09-05

  The present invention relates to the inhibition of HIV integrase, and to the treatment of AIDS or ARC by administering compounds of the following formula, or a tautomer of said compound, or a pharmaceutically acceptable salt, solvate or prodrug of said compound or of a tautomer thereof. 1 wherein R 1 is phenyl, wherein said phenyl is substituted from 1-3 times with R 2 , or R 1 naphthyl, and wherein said naphthyl is optionally substituted from 1-3 times with R2; each R 2 is independently selected from halo, C 1 -C 3 alkyl, C 1 -C 2 alkoxy, C 1 -C 3 haloalkyl, and phenyl-(CH 2 ) m O n —; m is 0 or 1; n is 0 or 1; and Z is methylene or —C(O)—, provided that when Z is —C(O)— said substituted phenyl is not ortho-chloro phenyl.

  本发明涉及抑制HIV整合酶，并通过给予以下结构的化合物、该化合物的互变异构体、药学上可接受的盐、溶剂合物或前药的治疗，来治疗艾滋病或ARC。其中R1为苯基，其中所述苯基被R2取代1-3次，或者R1为萘基，其中所述萘基可以选择被R2取代1-3次；每个R2独立地选择自卤素、C1-C3烷基、C1-C2烷氧基、C1-C3卤代烷基和苯基-(CH2)mOn—；m为0或1；n为0或1；Z为亚甲基或—C(O)—，条件是当Z为—C(O)—时，所述取代的苯基不是邻氯苯基。
• HIV INTEGRASE INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP1370510A2

  公开（公告）日：2003-12-17
• US6548546B2
  申请人：——

  公开号：US6548546B2

  公开（公告）日：2003-04-15
• [EN] HIV INTEGRASE INHIBITORS<br/>[FR] INHIBITEURS D'INTEGRASE DU VIH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2001098248A2

  公开（公告）日：2001-12-27

  The present invention relates to the inhibition of HIV integrase, and to the treatment of AIDS or ARC by administering compounds of the formula (I), or a tautomer of said compound, or a pharmaceutically acceptable salt, solvate or prodrug of said compound or of a tautomer thereof, wherein R1 is phenyl, wherein said phenyl is substituted from 1-3 times with R?2, or R1¿ naphthyl, and wherein said naphthyl is optionally substituted from 1-3 times with R2; each R2 is independently selected from halo, C¿1?-C3 alkyl, C1-C2 alkoxy, C1-C3 haloalkyl, and phenyl-(CH2)mOn-; m is 0 or 1; n is 0 or 1; and Z is methylene or -C(O)-, provided that when Z is -C(O)- said substituted phenyl is not ortho-chloro phenyl.