7-[[4-[(4-氯苯基)甲氧基]苯基]磺酰基]-2,3,4,5-四氢-8-甲氧基-3-甲基-1H-3-苯并氮杂卓 | 630407-66-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 中文名称: 7-[[4-[(4-氯苯基)甲氧基]苯基]磺酰基]-2,3,4,5-四氢-8-甲氧基-3-甲基-1H-3-苯并氮杂卓
• 英文名称: 7-[4-(4-chlorobenzyloxy)benzenesulfonyl]-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
• 英文别名: 1H-3-Benzazepine, 7-[[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl]-2,3,4,5-tetrahydro-8-methoxy-3-methyl-；7-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
• CAS: 630407-66-8
• 化学式: C₂₅H₂₆ClNO₄S
• 分子量: 472.005
• InChiKey: HIBWHHQXUSKNOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  64.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-[[4-[(4-氯苯基)甲氧基]苯基]磺酰基]-2,3,4,5-四氢-8-甲氧基-3-甲基-1H-3-苯并氮杂卓 、 顺丁烯二酸 以 乙醇 为溶剂， 反应 2.17h， 生成 7-[4-(4-chlorobenzyloxy)benzenesulfonyl]-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepinium maleate
  参考文献：
  名称：

  [EN] 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS
  [FR] 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OU TOSYLATE EN TANT QU'AGENTS ANTIPSYCHOTIQUES

  摘要：

  本发明涉及7-[4-(4-氯苄氧基)苯基磺酰基]-8-甲氧基-3-甲基-2,3,4,5-四氢-1H-3-苯并哌啶的新型盐及其药学可接受的溶剂结晶体，药物配方、其制备方法以及在医学上的应用。这些化合物在治疗中具有用途，特别是作为抗精神病药物。

  公开号：

  WO2005051916A1
• 作为产物：
  描述：

  7-(4-fluoro-benzenesulfonyl)-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine 、 4-氯苯甲醇 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 1.92h， 生成 7-[[4-[(4-氯苯基)甲氧基]苯基]磺酰基]-2,3,4,5-四氢-8-甲氧基-3-甲基-1H-3-苯并氮杂卓
  参考文献：
  名称：

  [EN] 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS
  [FR] 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OU TOSYLATE EN TANT QU'AGENTS ANTIPSYCHOTIQUES

  摘要：

  本发明涉及7-[4-(4-氯苄氧基)苯基磺酰基]-8-甲氧基-3-甲基-2,3,4,5-四氢-1H-3-苯并哌啶的新型盐及其药学可接受的溶剂结晶体，药物配方、其制备方法以及在医学上的应用。这些化合物在治疗中具有用途，特别是作为抗精神病药物。

  公开号：

  WO2005051916A1

文献信息

• [EN] 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS<br/>[FR] DERIVES DE LA 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE AGENTS ANTIPSYCHOTIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2005051398A1

  公开（公告）日：2005-06-09

  The invention provides one or more chemical entities selected from a compound of formula (I): wherein R1 represents C1-6alkyl, C1-6alkoxy, trifluoromethyl, trifluoromethoxy, halo, cyano, 5-methyl-1,2,4-oxadiazol-3-yl or a group -SO2X; R2 represents hydrogen, C1-6alkyl, C1-6alkoxy, halo or cyano; X is C1-6alkyl, -NR3R4 or morpholino; R3 and R4 independently represent hydrogen or C1-6alkyl; and a pharmaceutically acceptable salt and solvate thereof; with the proviso that the compound 8-[4-(4-fluoro-benzyl)-benzenesulfonyl]-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl}-dimethyl-amine is excluded. The compounds of formula (I) and pharmaceutically acceptable salts and solvates thereof are useful in therapy, in particular as antipsychotic agents.

  该发明提供了一种或多种从化合物的化学实体，该化合物的结构如下（I）：其中R1代表C1-6烷基，C1-6烷氧基，三氟甲基，三氟甲氧基，卤素，氰基，5-甲基-1,2,4-噁二唑-3-基或基团-SO2X；R2代表氢，C1-6烷基，C1-6烷氧基，卤素或氰基；X代表C1-6烷基，-NR3R4或吗啡啉；R3和R4独立地代表氢或C1-6烷基；以及其药学上可接受的盐和溶剂；但化合物8-[4-(4-氟苄基)-苯甲磺酰]-3-甲基-2,3,4,5-四氢-1H-3-苯并哌啶-7-基}-二甲胺被排除。该式（I）的化合物及其药学上可接受的盐和溶剂在治疗中很有用，特别是作为抗精神病药物。
• [EN] 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS<br/>[FR] DERIVES DE 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE UTILISES EN TANT QU'AGENTS ANTIPSYCHOTIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2005051399A1

  公开（公告）日：2005-06-09

  This invention provides one or more chemical entities selected from a compound of formula (I) and a pharmaceutically acceptable salt and solvate thereof. The compounds of formula (I) and pharmaceutically acceptable salts or solvates thereof are useful in therapy, in particular as antipsychotic agents.

  这项发明提供了一种或多种从式(I)化合物及其药学上可接受的盐和溶剂中选择的化学实体。式(I)化合物和其药学上可接受的盐或溶剂在治疗中有用，特别是作为抗精神病药物。
• Compounds
  申请人：Forbes Thomson Ian

  公开号：US20050261279A1

  公开（公告）日：2005-11-24

  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, hydroxy C 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 5 R 6 , —SO 2 NR 5 R 6 , —(CH 2 ) p NR 5 R 6 , —(CF) p NR 5 COR 6 , optionally substituted aryl ring, optionally substituted heteroaryl ring or optionally substituted heterocyclyl ring; R 3 represents optionally substituted aryl ring or optionally substituted heteroaryl ring; R 4 represents hydrogen, hydroxy, C 1-6 alkyl, C 1-6 alkoxy, 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; Z represents —(CH 2 ) r X— wherein the —(CH 2 ) r — group is attached to R 3 , or —X(CH 2 ) r — wherein X is attached to R 3 , and wherein any of the —CH 2 — groups may be optionally substituted by one or more C 1-6 alkyl groups; X represents oxygen, —NR 7 or —CH 2 — wherein the —CH 2 — group may be optionally substituted by one or more C 1-6 alkyl groups; R 7 represents 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; r independently represents an integer selected from 0, 1, and 2; or a pharmaceutically acceptable salt or solvate thereof. The compounds are useful in therapy, in particular as antipsychotic agents.

  本发明提供了式（I）的化合物： 其中，A和B分别代表基团—（CH2）m—和—（CH2）n—；R1代表氢或C1-6烷基；R2代表氢、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、—（CH2）pC3-6环烷基、—（CH2）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、—CO2NR5R6、—SO2NR5R6、—（CH2）pNR5R6、—（CF）pNR5COR6、可选地取代的芳环、可选地取代的杂芳环或可选地取代的杂环基；R3代表可选地取代的芳环或可选地取代的杂芳环；R4代表氢、羟基、C1-6烷基、C1-6烷氧基、三氟甲基、三氟甲氧基、卤素、—OSO2CF3、—（CH2）pC3-6环烷基、—（CH2）qOC1-6烷基或—（CH2）pOC3-6环烷基；R5和R6各自独立地代表氢、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或氧代取代的氮杂环烷基；Z代表—（CH2）rX—，其中—（CH2）r—基团连接到R3，或—X（CH2）r—，其中X连接到R3，其中任何一个—CH2—基团可以可选地被一个或多个C1-6烷基基团取代；X代表氧、—NR7或—CH2—，其中—CH2—基团可以可选地被一个或多个C1-6烷基基团取代；R7代表氢或C1-6烷基；m和n独立地代表选自1和2的整数；p独立地代表选自0、1、2和3的整数；q独立地代表选自1、2和3的整数；r独立地代表选自0、1和2的整数；或其药学上可接受的盐或溶剂。这些化合物在治疗中有用，特别是作为抗精神病药物。
• 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents
  申请人：Forbes Thomson Ian

  公开号：US20070225276A1

  公开（公告）日：2007-09-27

  The invention provides one or more chemical entities selected from a compound of formula (I): wherein R 1 represents C 1-6 alkyl, C 1-6 alkoxy, trifluoromethyl, trifluoromethoxy, halo, cyano, 5-methyl-1,2,4-oxadiazol-3-yl or a group —SO 2 X; R 2 represents hydrogen, C 1-6 alkyl, C 1-6 alkoxy, halo or cyano; X is C 1-6 alkyl, —NR 3 R 4 or morpholino; R 3 and R 4 independently represent hydrogen or C 1-6 alkyl; and a pharmaceutically acceptable salt and solvate thereof; with the proviso that the compound 8-[4-(4-fluoro-benzyl)-benzenesulfonyl]-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl}-dimethyl-amine is excluded. The compounds of formula (I) and pharmaceutically acceptable salts and solvates thereof are useful in therapy, in particular as antipsychotic agents.

  本发明提供了一种或多种化学实体，所述化学实体从式(I)的化合物中选择：其中，R1代表C1-6烷基，C1-6烷氧基，三氟甲基，三氟甲氧基，卤素，氰基，5-甲基-1,2,4-噁二唑-3-基或基团-SO2X；R2代表氢，C1-6烷基，C1-6烷氧基，卤素或氰基；X代表C1-6烷基，-NR3R4或吗啡环；R3和R4独立地代表氢或C1-6烷基；以及其药学上可接受的盐和溶剂，但式8-[4-(4-氟苯甲基)-苯磺酰基]-3-甲基-2,3,4,5-四氢-1H-3-苯并氮杂环-7-基}-二甲基胺被排除在外。式(I)的化合物及其药学上可接受的盐和溶剂在治疗中有用，特别是作为抗精神病药物。
• Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders
  申请人：Hagan James

  公开号：US20070142411A1

  公开（公告）日：2007-06-21

  The invention concerns the use of compounds of formula (I), (II) and (III) which are COX-2 (cyclooxygenase-2) inhibitors, and pharmaceutically acceptable salts and solates thereof, for the treatment of schizophrenic disorders. Schizophrenic disorders of the invention are to be intended schizophrenia, delusional disorders, affective disorders, autism or tic disorders, schizophreniform disorders, in particular chronic schizophrenic psychoses and schizoaffective psychoses, temporary acute psychotic disorders. Moreover, the invention is concerned with the use of a pyrimidine derivative known as COX-2 inhibitor in combination with a neuroleptic drug for the treatment of schizophrenic disorders such as those defined above.

  本发明涉及使用式（I）、（II）和（III）化合物及其药学上可接受的盐和溶剂，作为COX-2（环氧合酶-2）抑制剂，用于治疗精神分裂症。本发明的精神分裂症指精神分裂症、妄想性障碍、情感障碍、自闭症或抽动障碍、类精神分裂症、特别是慢性精神分裂症和分裂情感性精神病、暂时急性精神病性障碍。此外，本发明涉及使用一种称为COX-2抑制剂的嘧啶衍生物与神经精神药物结合治疗上述定义的精神分裂症。