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12-Phenylmethoxy-14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene

中文名称
——
中文别名
——
英文名称
12-Phenylmethoxy-14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene
英文别名
——
12-Phenylmethoxy-14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene化学式
CAS
——
化学式
C21H22N2O2
mdl
——
分子量
334.4
InChiKey
UENIYSQTQWFHSS-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3
  • 重原子数:
    25
  • 可旋转键数:
    3
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    35.4
  • 氢给体数:
    1
  • 氢受体数:
    3

文献信息

  • Tetracyclic azepinoindole compounds
    申请人:PHARMACIA & UPJOHN COMPANY
    公开号:US20020198190A1
    公开(公告)日:2002-12-26
    The present invention provides compounds of formula I: 1 wherein R 1 , R 2 , X and Y have any of the values defined in the specification, as well as pharmaceutical compositions comprising the compounds. The invention also provides therapeutic methods as well as processes and intermediates useful for preparing compounds of formula (I).
    本发明提供了公式I的化合物:1其中R1、R2、X和Y的任何值均在规范中定义,以及包含该化合物的药物组合物。该发明还提供了治疗方法,以及用于制备公式(I)化合物的过程和中间体。
  • TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS
    申请人:PHARMACIA & UPJOHN COMPANY
    公开号:EP1173440B1
    公开(公告)日:2004-09-15
  • US6407092B1
    申请人:——
    公开号:US6407092B1
    公开(公告)日:2002-06-18
  • US6875762B2
    申请人:——
    公开号:US6875762B2
    公开(公告)日:2005-04-05
  • [EN] TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS<br/>[FR] COMPOSES D'AZEPINOINDOLE TETRACYCLIQUE UTILISES COMME LIGANDS RECEPTEURS DE 5-HT
    申请人:UPJOHN CO
    公开号:WO2000064899A1
    公开(公告)日:2000-11-02
    The present invention provides compounds of formula (I), wherein R2 is hydrogen, C1-7alkyl, C1-7alkanoyl, arylcarbonyl, aryl, (aryl)C1-7alkyl, C1-7alkoxycarbonyl, aryloxycarbonyl, arylsulfonyl, or (aryl)C1-7alkoxycarbonyl; X and Y together are 2, 3 or 4 membered saturated or partially unsaturated chain. These compounds are 5-HT ligands, and are useful for treating diseases wherein modulation of 5-HT activity is desired.
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同类化合物

环戊二烯并[4,5]氮杂卓并[2,1,7-cd]吡咯里嗪 吡咯并[1,2-a]氮杂-5-酮 六氢-1H-吡咯并[1,2-A]氮杂卓-5(6H)-酮 N,N-二甲基-3-(3-甲基-1,2,4,5-四氢氮杂卓并[4,5-b]吲哚-6-基)丙-1-胺 9-氟-1,2,3,4,5,6-六氢氮杂卓并[4,5-b]吲哚 7,8-二氢-5H-吡咯并[1,2-A]氮杂环庚烷-9(6H)-酮 6-叔-丁基3A-乙基八氢吡咯并[2,3-D]氮杂卓-3A,6(2H)-二甲酸基酯 6,7-二氢吡咯并[2,3-c]氮杂卓-4,8(1H,5H)-二酮 5H-吡咯并[1,2-a]氮杂卓-7-醇 5,9:7,11-二亚甲基-5H-吡咯并[1,2-a]吖壬英-3-羧酸,6,7,8,9,10,11-六氢-,甲基酯 4-(2-氨基-1H-咪唑-5-基)-2,3-二溴-6,7-二氢吡咯并[2,3-c]氮杂卓-8(1H)-酮 4-(2-氨基-1H-咪唑-4-基)-2,3-二溴-4,5,6,7-四氢吡咯并[2,3-c]氮杂卓-8(1H)-酮 4-(2-氨基-1,5-二氢-5-氧代-4H-咪唑-4-亚基)-4,5,6,7-四氢-吡咯并[2,3-c]氮杂卓-8(1H)-酮 3-苄基-1,2,3,4,5,6-六氢氮杂卓并[4,5-b]吲哚 3-(3,9-二甲基-1,2,4,5-四氢氮杂卓并[4,5-b]吲哚-6-基)-N,N-二甲基丙烷-1-胺 2H,3H-氧杂环丁烷并[3,2-d]吡咯并[1,2-a]氮杂卓 2-溴-6,7-二氢-1h,5h-吡咯并[2,3-c]氮杂烷-4,8-二酮 2,5-已炔二醇 2,3,4,5-四氢-N,N-二甲基-2-(3,4,5-三甲氧基苯甲酰基)-氮杂卓并(3,4-b)吲哚-10(1H)-丙胺 11-氧杂-3,10-二氮杂三环[7.2.1.03,7]十二碳-1,4,6,9-四烯 1,4,5,6,7,8-六氢吡咯并[3,2-b]氮杂卓 1,2,3,4,5,6-六氢氮杂环庚烷[4,3-B]吲哚盐酸盐 1,2,3,4,5,6-六氢-9-甲基氮杂卓并[4,5-b]吲哚 1,2,3,4,5,6-六氢-6-甲基氮杂革[4,5-b]吲哚盐酸盐 1,2,3,4,5,6-六氢-3-甲基氮杂卓并[4,5-b]吲哚 (1R*,2E,11S*)-2-(cyclohexylmethylene)-1-(phenylsilyl)methyloctahydropyrrolo[1,2-a]azepine (R)-2-(6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepin-9-yl)-acetaldehyde curvulamine (3aR,8aS)-tert-butyl octahydropyrrolo[3,4-d]azepine-2(1H)-carboxylate hydrochloride tert-butyl 6-(2-amino-2-oxoethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate 3-benzoyl-10-bromo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole 3-(tert-butyloxycarbonyl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole 1,2,3,4,5,6-hexahydro-3-dimethylaminoethyl-5-hydroxymethylazepino[4,5-b]indole 1,2,3,4,5,6-hexahydro-3-dimethylaminoethyl-5-hydroxymethyl-6-methylazepino[4,5-b]indole (Z)-2,3,9,9a-tetrahydro-6,6-dimethyl-9-methylene-8-vinyl-1H-pyrrolo[1,2-a]azepin-5(6H)-one 2,3,4,5,6,7-hexahydro-1H-3a,8,13,13b-tetraazabenzo[b]cyclopenta[1,2,3-jk]fluorene 2,3,4,5,6,7-hexahydro-1H-3a,8,11,11b-tetraazacyclohepta[1,2,3-jk]fluorene 1-Benzyloxy-2-methoxy-7,8,9,10-tetrahydro-6H-azepino<1,2-a>indole-11-carbaldehyde 3-benzoyl-10-(2-propoxyphenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole 2-phenyl-2,4,5,6-tetrahydro-1H-6-azabenzo[a]cyclohepta[cd]azulen-1-one 2-carbetoxy-3-(N,N-dimethyl)aminomethyleneamino-8-oxo-8H-4,5,6,7-tetrahydropyrrolo<2,3-c>azepine 3-benzoyl-10-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole 3-benzoyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole 6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydroazepino[4,3-b]indol-1(2H)-one 5-(2-hydroxy-3-morpholin-4-yl-propyl)-3-methyl-4-oxo-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde 6-(2-phenylethyl)-3,4,5,6-tetrahydroazepino[4,3-b]indol-1(2H)-one 11-(tert-butyldimethylsilyloxy)-1-trimethylsilyl-3a,4,11,12-tetrahydro-3H-cyclopenta[5,6]azepine[1,2-a]indole-2-one tert-butyl 8,9-dichloro-6-[2-(2,3-dimethylanilino)-2-oxoethyl]-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate tert-butyl 9,10-dichloro-6-[2-(2,3-dimethylanilino)-2-oxoethyl]-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate tert-butyl (1R,4S)-1-(benzylcarbamoyl)-3-oxo-2-((S)-1-phenylethyl)-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-4-ylcarbamate