6,8-dimethoxy-1-(3-trifluoromethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 4-methoxybenzylamide | 848900-85-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 6,8-dimethoxy-1-(3-trifluoromethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 4-methoxybenzylamide
• 英文别名: 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
• CAS: 848900-85-6
• 化学式: C₂₇H₂₇F₃N₂O₅
• 分子量: 516.517
• InChiKey: MLUSTKAKKZXHPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  69.3
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Novel potassium channels modulators
  申请人：Garcia Gabriel

  公开号：US20050070570A1

  公开（公告）日：2005-03-31

  The invention relates to compounds having the Formula (I) or a salt, or a physiologically functional derivative, or a prodrug thereof, wherein Z is carbonyl or sulfonyl; R 1 is alkyl, alkenyl, alkynyl, aryl, H, halogen, haloalkyl, haloalkoxy, hydroxyalkyl, cycloalkyl or heteroaryl; R 2 is H, OH, —CH 2 —SO 2 -alkyl, —CH 2 —SO 2 -cycloalkyl, —CH 2 —SO 2 -aryl, —CH 2 —SO 2 -heteroaryl, alkylamine, alkenylamine, alkynylamine, cycloalkylamine, arylamine, heteroarylamine, aryl, haloalkyl, haloalkoxy, hydroxyalkyl, cycloalkyl, heteroaryl or a linear or branched alkyl, alkenyl, alkynyl, which can optionally be substituted by one or more substituents R 3 ; R 3 is H, alkyl, alkenyl, alkynyl, cycloalkyl, —CO 2 R 4 , —CONHR 4 , —CONR 4 R 4 , —CR 4 O, —SO 2 R 4 , —NR 4 —CO—R 4 , alkoxy, alkylthio, —OH, —SH, —O-aryl, —O-cycloalkyl, —S-aryl, —S-cycloalkyl, hydroxyalkyl, halogen, haloalkyl, haloalkoxy, CN, NO 2 , hydroxyalkylamine, aminoalkyl, alkylamine, aryl or heteroaryl; R 4 is H, halogen, alkyl, alkenyl, alkynyl, cycloalkyl, alkoxy, alkylthio, —O-aryl, —O-cycloalkyl, OH, SH, —S-aryl, —S-cycloalkyl, hydroxyalkyl, haloalkyl, haloalkoxy, hydroxyalkyl-amine, aminoalkyl, alkylamine, aryl or heteroaryl; R 5 is alkyl, alkenyl or alkynyl.

  该发明涉及具有式（I）的化合物或其盐，或其生理功能衍生物，或其前药，其中Z为羰基或磺酰基；R1为烷基，烯烃基，炔烃基，芳基，氢，卤素，卤代烷基，卤代甲氧基，羟基烷基，环烷基或杂环芳基；R2为氢，羟基，—CH2—SO2-烷基，— —SO2-环烷基，— —SO2-芳基，— —SO2-杂环芳基，烷基胺，烯烃基胺，炔烃基胺，环烷基胺，芳基胺，杂环芳基胺，芳基，卤代烷基，卤代甲氧基，羟基烷基，环烷基，杂环芳基或一个线性或支链烷基，烯烃基，炔烃基，可以选择地被一个或多个取代基R3取代；R3为氢，烷基，烯烃基，炔烃基，环烷基，—CO2R4，—CONHR4，—CONR4R4，—CR4O，—SO2R4，—NR4—CO—R4，烷氧基，烷基硫醚，—羟基，—硫氢，—O-芳基，—O-环烷基，—S-芳基，—S-环烷基，羟基烷基，卤素，卤代烷基，卤代甲氧基，CN，NO2，羟基烷胺，氨基烷基，烷基胺，芳基或杂环芳基；R4为氢，卤素，烷基，烯烃基，炔烃基，环烷基，烷氧基，烷基硫醚，—O-芳基，—O-环烷基，羟基，硫氢，—S-芳基，—S-环烷基，羟基烷基，卤代烷基，卤代甲氧基，羟基烷胺，氨基烷基，烷基胺，芳基或杂环芳基；R5为烷基，烯烃基或炔烃基。
• N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS
  申请人：4SC AG

  公开号：EP1663983A1

  公开（公告）日：2006-06-07
• [EN] N-SUBSTITUTED 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS<br/>[FR] 6,8-DIALCOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINES N-SUBSTITUTEES UTILISEES EN TANT QUE MODULATEURS DES CANAUX POTASSIQUES
  申请人：4SC AG

  公开号：WO2004113302A1

  公开（公告）日：2004-12-29

  The invention relates to compounds having the Formula (I) or a salt, or a physiologically functional derivative, or a prodrug thereof, (I) wherein Z is carbonyl or sulfonyl; R1 is alkyl, alkenyl, alkynyl, aryl, H, halogen, haloalkyl, haloalkoxy, hydroxyalkyl, cycloalkyl or heteroaryl; R2 is H, OH, -CH2-SO2-alkyl, -CH2-SO2-cycloalkyl, -CH2-SO2-aryl, -CH2-SO2-heteroaryl, alkylamine, alkenylamine, alkynylamine, cycloalkylamine, arylamine, heteroarylamine, aryl, haloalkyl, haloalkoxy, hydroxyalkyl, cycloalkyl, heteroaryl or a linear or branched alkyl, alkenyl, alkynyl, which can optionally be substituted by one or more substituentes R3; R3 is H, alkyl, alkenyl, alkynyl, cycloalkyl, -CO2R4, -CONHR4, -CONR4R4, - CR4O, SO2R4, -NR4-CO-R4, alkoxy, alkylthio, -OH, -SH, -O-aryl, -O-cycloalkyl, -S-aryl, -S-cycloalkyl, hydroxyalkyl, halogen, haloalkyl, haloalkoxy, CN, NO2, hydroxyalkylamine, aminoalkyl, alkylamine, aryl or heteroaryl; R4 is H, halogen, alkyl, alkenyl, alkynyl, cycloalkyl, alkoxy, alkylthio, -O-aryl, - O-cycloalkyl, OH, SH, -S-aryl, -S-cycloalkyl, hydroxyalkyl, haloalkyl, haloalkoxy, hydroxyalkyl-amine, aminoalkyl, alkylamine, aryl or heteroaryl; R5 is alkyl, alkenyl or alkynyl.