2-(pyridin-3-yl)-N-(3,4,5-trifluorophenyl)quinolin-4-amine | 1623478-73-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(pyridin-3-yl)-N-(3,4,5-trifluorophenyl)quinolin-4-amine
• 英文别名: 2-(3-pyridyl)-N-(3,4,5-trifluorophenyl)quinolin-4-amine；2-pyridin-3-yl-N-(3,4,5-trifluorophenyl)quinolin-4-amine
• CAS: 1623478-73-8
• 化学式: C₂₀H₁₂F₃N₃
• 分子量: 351.331
• InChiKey: LOZSKWBCNQVDOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Compounds for use in inhibiting HIV capsid assembly
  申请人：Ruprecht-Karls-Universität Heidelberg

  公开号：EP2769723A1

  公开（公告）日：2014-08-27

  The present invention relates to a compound or a pharmaceutically acceptable salt or solvate thereof for use in inhibiting HIV capsid assembly, the compound comprising the core structure wherein E is CR7or S, and wherein f is 0 or 1, and wherein in case E is S, f is 0, and wherein the core structure is at least substituted in 2 and 4 position, and wherein the residue R6 and R7, are, independently of each other, selected from the group consisting of -H, -D, -alkyl, alkoxy, alkenyl, alkynyl, halides, -NO2, - OH, - NH2, -NHR4#, -CN, -S(O)R4#, -SO2R4#, -P(O)R4#R5#, -P(O)(OR4#)R5#, - P(O)(OR4#)(OR5#), -C(O)NR4#R5#, -C(O)SR4#, -C(O)R4#, -C(O)O-R4#, alkoxy and glycol chains; and wherein R6 may optionally form a cyclic residue, with a further substituent present 5 or 6 position, and wherein R4# and R5# are, independently of each other, selected from the group consisting of -H, -alkyl, -alkenyl, - heterocycloalkyl, aryl and heteroaryl.

  本发明涉及一种化合物或其药学上可接受的盐或溶剂，用于抑制HIV壳蛋白组装，所述化合物包括核心结构，其中E为CR7或S，f为0或1，若E为S，则f为0，核心结构至少在2和4位置被取代，残基R6和R7，独立于彼此，选自-H、-D、-烷基、烷氧基、烯基、炔基、卤素、-NO2、-OH、-NH2、-NHR4#、-CN、-S(O)R4#、-SO2R4#、-P(O)R4#R5#、-P(O)(OR4#)R5#、-P(O)(OR4#)(OR5#)、-C(O)NR4#R5#、-C(O)SR4#、-C(O)R4#、-C(O)O-R4#、烷氧基和甘醇链；R6可以选择形成一个环状残基，进一步的取代物位于5或6位置，R4#和R5#，独立于彼此，选自-H、-烷基、-烯基、-杂环烷基、芳基和杂芳基。
• [EN] COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY<br/>[FR] COMPOSÉS POUR UTILISATION DANS L'INHIBITION DE L'ASSEMBLAGE DE CAPSIDE DE VIH
  申请人：RUPRECHT KARLS UNIVERSITÄT HEIDELBERG

  公开号：WO2014128206A1

  公开（公告）日：2014-08-28

  The present invention relates to a compound or a pharmaceutically acceptable salt or solvate thereof for use in inhibiting HIV capsid assembly, the compound comprising the core structure wherein E is CR7or S, and wherein f is 0 or 1, and wherein in case E is S, f is 0, and wherein the core structure is at least substituted in 2 and 4 position, and wherein the residue R6 and R7, are, independently of each other, selected from the group consisting of -H, -D, -alkyl, alkoxy, alkenyl, alkynyl, halides, -NO2, - OH, -NH2, -NHR4#, -CN, - S(O)R4#, -SO2R4#, -P(O)R4#R5#, -P(O)(OR4#)R5#, -P(O)(OR4#)(OR5#), -C(O)NR4#R5#, - C(O)SR4#, -C(O)R4#, -C(O)O-R4#, alkoxy and glycol chains; and wherein R6 may optionally form a cyclic residue, with a further substituent present 5 or 6 position, and wherein R4# and R5# are, independently of each other, selected from the group consisting of -H, -alkyl, -alkenyl, -heterocyclo alkyl, aryl and heteroaryl.

  本发明涉及一种化合物或其在抑制HIV衣壳组装中的药用盐或溶剂中的使用，该化合物包括核心结构，其中E为CR7或S，其中f为0或1，在E为S的情况下，f为0，在核心结构至少在2和4位置被取代，在残基R6和R7中，它们分别选自-H，-D，-烷基，烷氧基，烯基，炔基，卤素，-NO2，-OH，-NH2，-NHR4#，-CN，-S(O)R4#，-SO2R4#，-P(O)R4#R5#，-P(O)(OR4#)R5#，-P(O)(OR4#)(OR5#)，-C(O)NR4#R5#，-C(O)SR4#，-C(O)R4#，-C(O)O-R4#，烷氧基和甘醇链；其中R6可以选择形成一个环状残基，并在5或6位置存在另一个取代基，而R4#和R5#分别选自-H，-烷基，-烯基，-杂环烷基，芳基和杂芳基。