7-乙氧基-3-甲基-2,3,4,5-四氢-1H-3-苯并氮杂卓 | 630407-34-0

• 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-乙氧基-3-甲基-2,3,4,5-四氢-1H-3-苯并氮杂卓
• 英文名称: 7-ethoxy-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
• 英文别名: 7-Ethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
• CAS: 630407-34-0
• 化学式: C₁₃H₁₉NO
• 分子量: 205.3
• InChiKey: LLCHFYPWIAJCQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-乙氧基-3-甲基-2,3,4,5-四氢-1H-3-苯并氮杂卓 生成
  参考文献：
  名称：

  [EN] AROMATIC SULFONES AND THEIR MEDICAL USE
  [FR] COMPOSES

  摘要：

  公开号：

  WO2003099786A3
• 作为产物：
  描述：

  聚合甲醛 、 7-ethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride 在 三乙酰氧基硼氢化钠 作用下， 以 水 为溶剂， 生成 7-乙氧基-3-甲基-2,3,4,5-四氢-1H-3-苯并氮杂卓
  参考文献：
  名称：

  [EN] AROMATIC SULFONES AND THEIR MEDICAL USE
  [FR] COMPOSES

  摘要：

  公开号：

  WO2003099786A3

文献信息

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

  公开号：WO2005025576A1

  公开（公告）日：2005-03-24

  The invention provides compounds of formula (I): wherein A and B represent the groups -(CH2)m- and -(CH2)n- respectively; R1 represents hydrogen or C1-6alkyl; R2 represents hydrogen, halogen, hydroxy, cyano, nitro, hydroxyC1-6alkyl, trifluoromethyl, trifluoromethoxy, C1-6alkyl, C1-6alkoxy, C1-6fluoroalkoxy, -(CH2)pC3-6cycloalkyl, -(CH2)pOC3-6cycloalkyl, -COC1-6alkyl, -SO2 C1-6alkyl, -SOC1-6alkyl, -S-C1-6alkyl, -CO2C1-6alkyl, -CO2NR3R4, -SO2NR3R4, -(CH2)pNR3R4, -(CH2)pNR3COR4, optionally substituted aryl ring, optionally substituted heteroaryl ring, a fused bicyclic heteroaromatic ring system or optionally substituted heterocyclyl ring; Ar1 represents optionally substituted heteroaryl ring; Ar2 represents optionally substituted aryl ring or optionally substituted heteroaryl ring; Z represents -(CH2)qX- wherein the -(CH2)q- group is attached to Ar2, or -X(CH2)q- wherein X is attached to Ar2, and wherein any of the -CH2- groups may be optionally substituted by one or more C1-6alkyl groups; X represents oxygen, -CH(OR5)-, -NR5- or -CH2- wherein the -CH2- group may be optionally substituted by one or more C1-6alkyl groups; R3 and R4 each independently represent hydrogen, C1-6alkyl or, together with the nitrogen or other atoms to which they are attached, form an azacycloalkyl ring or an oxo-substituted azacycloalkyl ring; R5 represents hydrogen or C1-6alkyl; 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 0, 1, 2 and 3; or a pharmaceutically acceptable salt or solvate thereof, with the proviso that when Ar1 is a pyridyl group, and Z is -CH2X- where X is attached to the Ar1 group, X is selected from -CH(OR5)-, -NR5- and -CH2- wherein the -CH2- group may be optionally substituted by one or more C1-6alkyl groups. The compounds of formula (I) are useful in therapy, in particular as antipsychotic agents.

  该发明提供了以下式（I）的化合物：其中A和B分别代表基团-(CH2)m-和-( )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、-( )pC3-6环烷基、-( )pOC3-6环烷基、-COC1-6烷基、-SO2 C1-6烷基、-SOC1-6烷基、-S-C1-6烷基、-CO2C1-6烷基、-CO2NR3R4、-SO2NR3R4、-( )pNR3R4、-( )pNR3COR4、可选择地取代的芳基环、可选择地取代的杂芳基环、融合的双环杂芳基环系统或可选择地取代的杂环烷基环；Ar1代表可选择地取代的杂芳基环；Ar2代表可选择地取代的芳基环或可选择地取代的杂芳基环；Z代表-( )qX-其中-( )q-基团连接到Ar2，或-X( )q-其中X连接到Ar2，并且任何一个- -基团可以可选择地由一个或多个C1-6烷基基团取代；X代表氧、-CH(OR5)-、-NR5-或- -其中- -基团可以可选择地由一个或多个C1-6烷基基团取代；R3和R4各自独立地代表氢、C1-6烷基或者与它们连接的氮或其他原子形成氮杂环烷基环或氧代取代的氮杂环烷基环；R5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0、1、2和3的整数；或其药学上可接受的盐或溶剂，但当Ar1是吡啶基团，且Z为- X-其中X连接到Ar1基团时，X选自-CH(OR5)-、-NR5-和- -其中- -基团可以可选择地由一个或多个C1-6烷基基团取代。该式（I）的化合物在治疗中特别作为抗精神病药物具有用途。
• 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—（ ）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、—（ ）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、—CO2NR5R6、—SO2NR5R6、—（ ）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、—（ ）pC3-6环烷基、—（ ）qOC1-6烷基或—（ ）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—（ ）rX—，其中—（ ）r—基团连接到R3，或—X（ ）r—，其中X连接到R3，其中任何一个— —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— —，其中— —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。
• AROMATIC SULFONES AND THEIR MEDICAL USE
  申请人：Forbes Ian Thomson

  公开号：US20080269197A1

  公开（公告）日：2008-10-30

  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 , —(CH 2 ) 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-（ ）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、-（ ）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、-CO2NR5R6、-SO2NR5R6、-（ ）pNR5R6、-（ ）pNR5COR6、可选择取代的芳环、可选择取代的杂芳环或可选择取代的杂环烷基；R3代表可选择取代的芳环或可选择取代的杂芳环；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、-（ ）pC3-6环烷基、-（ ）qOC1-6烷基或-（ ）pOC3-6环烷基；R5和R6各自独立地代表氢、C1-6烷基或与它们所附着的氮或其他原子一起形成一个氮杂环烷基或氧代取代的氮杂环烷基；Z代表-（ ）rX-，其中-（ ）r-基团附着在R3上，或-X（ ）r-，其中X附着在R3上，并且任何- -基团都可以选择地被一个或多个C1-6烷基取代；X代表氧、-NR7或- -，其中- -基团可以选择地被一个或多个C1-6烷基取代；R7代表氢或C1-6烷基；m和n分别独立地代表选自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-HETEROARYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1663248A1

  公开（公告）日：2006-06-07
• US7504392B2
  申请人：——

  公开号：US7504392B2

  公开（公告）日：2009-03-17