5-(3,4-difluorophenyl)-thiophene-2-sulphonic acid (8-metoxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl) amide | 679796-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 5-(3,4-difluorophenyl)-thiophene-2-sulphonic acid (8-metoxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl) amide
• 英文别名: 5-(3,4-difluorophenyl)-N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)thiophene-2-sulfonamide
• CAS: 679796-04-4
• 化学式: C₂₂H₂₂F₂N₂O₃S₂
• 分子量: 464.557
• InChiKey: QAVBAFIRMUWOCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  95.3
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Sulfonamide derivatives as antipsychotic agents
  申请人：Forbes Thomson Ian

  公开号：US20060063757A1

  公开（公告）日：2006-03-23

  The invention provides compounds of formula (I): wherein A and B represent the groups —(CH 2 ) m — and —(CH 2 ) n — respectively; R 1 represents hydrogen or C 1-6 alkyl; R 2 represents hydrogen, halogen, hydroxy, cyano, nitro, hydroxyC 1-6 alkyl, trifluoromethyl, trifluoromethoxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 fluoroalkoxy, —(CH 2 ) p C 3-6 cycloalkyl, —(CH 2 ) p OC 3-6 cycloalkyl, —COC -6 alkyl, —SO 2 C 1-6 alkyl, —SOC 1-6 alkyl, —S—C 1-6 alkyl, —CO 2 C 1-6 alkyl, —CO 2 NR 5 R 6 , —SO 2 NR 5 R 6 , —(CH 2 )NR 5 R 6 , —(CH 2 ) p NR 5 COR 6 , optionally substituted aryl ring, optionally substituted heteroaryl ring or optionally substituted heterocyclyl ring; R 3 represents hydrogen, halogen, hydroxy, cyano, nitro, hydroxyC 1-6 alkyl, trifluoromethyl, trifluoromethoxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 fluoroalkoxy, —(CH 2 ) p C 3-6 cycloalkyl, —(CH 2 ) p OC 3-6 cycloalkyl, —COC 1-6 alkyl, —SO 2 C 1-6 alkyl, —SOC 1-6 alkyl, —S—C 1-6 alkyl, —CO 2 C 1-6 alkyl, —CO 2 NR 7 R 8 , —SO 2 NR 7 R 8 , —(CH 2 ) p NR 7 R 8 or —(CH 2 ) p NR 7 COR 8 ; R 4 represents hydrogen, hydroxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 fluoroalkoxy, trifluoromethyl, trifluoromethoxy, halogen, —OSO 2 CF 3 , —(CH 2 ) p C 3-6 cycloalkyl, —(CH 2 ) q OC 1-6 alkyl or —(CH 2 ) p OC 3-6 cycloalkyl; R 5 and R 6 each independently represent hydrogen, C 1-6 alkyl or, together with the nitrogen or other atoms to which they are attached, form an azacycloalkyl ring or an oxo-substituted azacycloalkyl ring; R 7 and R 8 each independently represent hydrogen or C 1-6 alkyl; m and n independently represent an integer selected from 1 and 2; p independently represents an integer selected from 0, 1, 2 and 3; q independently represents an integer selected from 1, 2 and 3; or a pharmaceutically acceptable salt or solvate thereof, with the proviso that the compounds 8-hydroxy-3-methyl-7-phenylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 8-hydroxy-7-4-(hydroxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 7-phenylsulfonyl- 1,2,3,4-tetrahydroisoquinoline and 7-phenylsulfonyl-1,2,3,4-tetrahydroisoquinoline hydrochloride are excluded. The compounds are useful in therapy, in particular as antipsychotic agents

  该发明提供了式（I）的化合物：其中A和B分别表示基团—（CH2）m—和—（ ）n—；R1表示氢或C1-6烷基；R2表示氢、卤素、羟基、氰基、硝基、羟基C1-6烷基、三氟甲基、三氟甲氧基、C1-6烷基、C1-6烷氧基、C1-6氟烷氧基、—（ ）pC3-6环烷基、—（ ）pOC3-6环烷基、—COC-6烷基、—SO2C1-6烷基、—SOC1-6烷基、—S—C1-6烷基、—CO2C1-6烷基、—CO2NR5R6、—SO2NR5R6、—（ ）NR5R6、—（ ）pNR5COR6、可选取代的芳香环、可选取代的杂芳环或可选取代的杂环基；R3表示氢、卤素、羟基、氰基、硝基、羟基C1-6烷基、三氟甲基、三氟甲氧基、C1-6烷基、C1-6烷氧基、C1-6氟烷氧基、—（ ）pC3-6环烷基、—（ ）pOC3-6环烷基、—COC1-6烷基、—SO2C1-6烷基、—SOC1-6烷基、—S—C1-6烷基、—CO2C1-6烷基、—CO2NR7R8、—SO2NR7R8、—（ ）pNR7R8或—（ ）pNR7COR8；R4表示氢、羟基、C1-6烷基、C1-6烷氧基、C1-6氟烷氧基、三氟甲基、三氟甲氧基、卤素、—OSO2CF3、—（ ）pC3-6环烷基、—（ ）qOC1-6烷基或—（ ）pOC3-6环烷基；R5和R6分别独立地表示氢、C1-6烷基或与它们所连接的氮或其他原子一起形成氮杂环烷基环或氧代取代的氮杂环烷基环；R7和R8分别独立地表示氢或C1-6烷基；m和n独立地表示选自1和2的整数；p独立地表示选自0、1、2和3的整数；q独立地表示选自1、2和3的整数；或其药学上可接受的盐或溶剂，但排除8-羟基-3-甲基-7-苯基磺酰基-2,3,4,5-四氢-1H-3-苯并噁唑、8-羟基-7-4-（羟基苯基）磺酰基-2,3,4,5-四氢-1H-3-苯并噁唑、7-苯基磺酰基-1,2,3,4-四氢异喹啉和7-苯基磺酰基-1,2,3,4-四氢异喹啉盐酸盐。这些化合物在治疗中有用，特别是作为抗精神病药物。
• SULPHONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1549639B1

  公开（公告）日：2006-05-24
• US7122538B2
  申请人：——

  公开号：US7122538B2

  公开（公告）日：2006-10-17