6,8-dimethoxy-2-phenylmethanesulfonyl-1-(3-trifluoromethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline | 848900-63-0

• 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-2-phenylmethanesulfonyl-1-(3-trifluoromethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 2-benzylsulfonyl-6,8-dimethoxy-1-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline
• CAS: 848900-63-0
• 化学式: C₂₅H₂₄F₃NO₅S
• 分子量: 507.53
• InChiKey: LDYPGZXBNRVWQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  73.4
• 氢给体数：
  0
• 氢受体数：
  9

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。
• [EN] SUBSTITUTED 1-BENZYL-4-SUBSTITUTED PIPERAZINE ANALOGUES<br/>[FR] ANALOGUES SUBSTITUES 1-BENZYL-4-SUBSTITUES PIPERAZINE
  申请人：NEUROGEN CORP

  公开号：WO2005110982A2

  公开（公告）日：2005-11-24

  Compounds of Formula I are provided, in which variables are as described herein: Such compounds may be used to modulate MCH binding to MCH receptors in vivo or in vitro, and are particularly useful in the treatment of a variety of metabolic, feeding and sexual disorders in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for detecting MCH receptors (e.g., receptor localization studies).

  提供了式I的化合物，其中变量如此处所述：这些化合物可用于调节MCH与体内或体外MCH受体的结合，并且在治疗人类、家养伴侣动物和家畜动物的各种代谢、进食和性功能障碍方面特别有用。提供了用于治疗此类疾病的制药组合物和方法，以及用于检测MCH受体（例如受体定位研究）的这种配体的使用方法。
• N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS
  申请人：4SC AG

  公开号：EP1663983B1

  公开（公告）日：2009-01-21