6,8-dimethoxy-1-methyl-2-(3-nitro-benzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline

• 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-methyl-2-(3-nitro-benzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 6,8-dimethoxy-1-methyl-2-(3-nitrobenzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline；6,8-dimethoxy-1-methyl-2-(3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
• 化学式: C₁₈H₂₀N₂O₆S
• 分子量: 392.433
• InChiKey: GTAKTUJVPNIULE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6,8-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline 、 3-硝基苯磺酰氯 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 6,8-dimethoxy-1-methyl-2-(3-nitro-benzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Novel potassium channels modulators

  摘要：

  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，—CH2—SO2-环烷基，—CH2—SO2-芳基，—CH2—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。

  公开号：

  US20050070570A1

文献信息

• N-substituted, 3,4-dihydro-1H-isoquinoline as potassium channels modulators
  申请人：4SC AG

  公开号：EP1489071A1

  公开（公告）日：2004-12-22

  The invention relates to compounds having the Formula (I) or a salt, or a physiologically functional derivative, or a prodrug thereof, wherein    wherein Zis carbonyl or sulfonyl; R1is alkyl, alkenyl, alkynyl, aryl, H, halogen, haloalkyl, haloalkoxy, hydroxyalkyl, cycloalkyl or heteroaryl; R2is -CH2-SO2-alkyl, -CH2-SO2-cycloalkyl, -CH2-SO2-aryl, -CH2-SO2-heteroaryl, aryl, haloalkyl, haloalkoxy, hydroxyalkyl, cycloalkyl, heteroaryl or a linear or branched C2-C6-alkyl group, which can optionally be substituted by one or more substituents R3; R3is H, alkyl, alkenyl, alkynyl, cycloalkyl, -CO2R4, -CONHR4, -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; R4is 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; R5is alkyl, alkenyl, alkynyl.

  本发明涉及具有公式（I）或其盐，生理功能衍生物或前药的化合物，其中：其中Z为羰基或磺酰基；R1为烷基，烯基，炔基，芳基，氢，卤素，卤代烷基，卤代烷氧基，羟基烷基，环烷基或杂环芳基；R2为-CH2-SO2-烷基，-CH2-SO2-环烷基，-CH2-SO2-芳基，-CH2-SO2-杂环芳基，芳基，卤代烷基，卤代烷氧基，羟基烷基，环烷基，杂环芳基或线性或支链C2-C6烷基，其可以选择性地被一个或多个取代基R3取代；R3为氢，烷基，烯基，炔基，环烷基，-CO2R4，-CONHR4，-CR4O，-SO2R4，-NR4-CO-R4，烷氧基，烷基硫基，-OH，-SH，-O-芳基，-O-环烷基，-S-芳基，-S-环烷基，羟基烷基，卤素，卤代烷基，卤代烷氧基，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，烯基，炔基，环烷基，烷氧基，烷基硫基，-O-芳基，-O-环烷基，-OH，-SH，-S-芳基，-S-环烷基，羟基烷基，卤代烷基，卤代烷氧基，羟基烷胺，氨基烷基，烷基胺，芳基或杂环芳基；R5为烷基，烯基，炔基。
• N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS
  申请人：4SC AG

  公开号：EP1663983B1

  公开（公告）日：2009-01-21
• BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER
  申请人：Canbex Therapeutics Limited

  公开号：US20180021303A1

  公开（公告）日：2018-01-25

  The present invention relates to BKCa activators for use in the treatment of a muscular disorder, or for controlling spasticity or tremors, for example, spasticity in MS.
• 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，—CH2—SO2-环烷基，—CH2—SO2-芳基，—CH2—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。