2-(3,5-Dibromo-2-methoxyphenyl)-5-[1-(1-hexahydroazepinyl)-ethyl]-1H-pyrrole hydrochloride | 159097-42-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-(3,5-Dibromo-2-methoxyphenyl)-5-[1-(1-hexahydroazepinyl)-ethyl]-1H-pyrrole hydrochloride
• 英文别名: 1-[1-[5-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrol-2-yl]ethyl]azepane;hydrochloride
• CAS: 159097-42-4
• 化学式: C₁₉H₂₄Br₂N₂O*ClH
• 分子量: 492.681
• InChiKey: UAURDXWVYWEFHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.57
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  28.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-乙酰基六氢-1H-氮杂卓 、 2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole 生成 2-(3,5-Dibromo-2-methoxyphenyl)-5-[1-(1-hexahydroazepinyl)-ethyl]-1H-pyrrole hydrochloride
  参考文献：
  名称：

  5-(2-oxyphenyl)-pyrrole derivatives as dopamine D.sub.3 receptor

  摘要：

  式(I)的化合物，其中R.sup.1代表C.sub.1-4烷基；而R.sup.2、R.sup.3、R.sup.4和R.sup.5分别独立地代表氢、卤素、C.sub.1-4烷基、C.sub.1-4烷氧基、C.sub.1-4烷氧基C.sub.1-4烷基、C.sub.1-4烷基磺酰基、三氟甲基磺酰基；可选择地取代的芳基磺酰基、可选择地取代的杂环芳基磺酰基、可选择地取代的芳基烷基磺酰基、可选择地取代的杂环烷基磺酰基、硝基、氰基、氨基、单烷基或双烷基氨基、三氟甲基、三

  公开号：

  US05523299A1

文献信息

• 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP0654023B1

  公开（公告）日：1998-09-16
• US5523299A
  申请人：——

  公开号：US5523299A

  公开（公告）日：1996-06-04
• [EN] 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE 5-(2-OXYPHENYL)-PYRROLE UTILISES COMME ANTAGONISTES DE RECEPTEUR DE DOPAMINE D3
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO1994003426A1

  公开（公告）日：1994-02-17

  (EN) Compounds of formula (I), wherein R1 represents C1-4alkyl; and R2, R3, R4 and R5 each independently represent hydrogen, halogen, C1-4alkyl, C1-4alkoxy, C1-4alkoxyC1-4alkyl, C1-4alkylsulphonyl, trifluoromethylsulphonyl; optionally substituted arylsulphonyl, optionally substituted heteroarylsulphonyl, optionally substituted aralkylsulphonyl, optionally substituted heteroaralkylsulphonyl, nitro, cyano, amino, mono- or di-alkylamino, trifluoromethyl, trifluoromethoxy, hydroxyl, hydroxyalkyl, C1-4alkylthio, C1-4alkanoyl, C1-4alkoxycarbonyl, aminosulphonyl, alkylaminosulphonyl or dialkylaminosulphonyl; or R1 and R2 together form a linking chain -(CH2)mOp (wherein m is 2 to 4 and p is zero or 1) which chain may be optionally substituted by one or two C1-4alkyl groups; and Y represents a group selected from (a) or (b) wherein R6 and R7 independently represent hydrogen, C1-6alkyl, optionally substituted arylC1-6alkyl or optionally substituted heteroarylC1-6alkyl; R8 represents C1-6alkyl, C3-6 alkenyl or C3-6 cycloalkylC1-4alkyl; and R9 represents C1-6alkyl; C3-6alkenyl; C3-6cycloalkylC1-4alkyl, optionally substituted arylC1-4alkyl or optionally substituted heteroarylC1-4alkyl; or NR8R9 forms a heterocyclic ring (with the proviso that NR8R9 is not piperazine); R10 represents C1-6alkyl; C3-6alkenyl; C3-6cycloalkylC1-4alkyl, optionally substituted arylC1-4alkyl or optionally substituted heteroarylC1-4alkyl; and n is 1 to 3; and salts thereof, have affinity for dopamine D3 receptors and may be useful in the treatment of e.g. psychotic disorders.(FR) Composés de la formule (I) dans laquelle R1 représente alkyle C1-4; et R2, R3, R4 ainsi que R5 représentent chacun indépendamment hydrogène, halogène, alkyle C1-4, alcoxy C1-4, alcoxy C1-4 alkyle C1-4, alkylsulfonyle C1-4, trifluorométhylsulfonyle; arylsulfonyle facultativement substitué, hétéroarylsulfonyle facultativement substitué, aralkylsulfonyle facultativement substitué, hétéroaralkylsulfonyle facultativement substitué, nitro, cyano, amino, mono ou dialkylamino, trifluorométhyle, trifluorométhoxy, hydroxyle, hydroxyalkyle, alkylthio C1-4, alcanoyle C1-4, alcoxycarbonyle C1-4, aminosulfonyle, alkylaminosulfonyle ou dialkylaminosulfonyle; ou R1 ainsi que R2 forment ensemble une chaîne de liaison -(CH2)mOp, (dans laquelle m est compris entre 2 et 4 et p représente 0 ou 1) laquelle chaîne peut être facultativement remplacée par un ou deux groupes alkyle C1-4; et Y représente un groupe choisi entre (a) et (b), dans lequel R6 et R7 représentent indépendamment hydrogène, alkyle C1-6, arylalkyle C1-6 facultativement substitué ou hétéroarylakyle C1-6 facultativement substitué; R8 représente alkyle C1-6, alcényle C3-6 ou cycloalkyle C3-6 alkyle C1-4; et R9 représente alkyle C1-6; alcényle C3-6; cycloalkyle C3-6 alkyle C1-4, arylalkyle C1-4 facultativement substitué ou hétéroarylalkyle C1-4 facultativement substitué; ou NR8R9 forme un cycle hétérocyclique (à condition que NR8 R9 ne représente par piperazine); R10 représente alkyle C1-6; alcényle C3-6; cycloalkyle C3-6 alkyle C1-4, arylalkyle C1-4 facultativement substitué ou hétéroarylalkyle C1-4 facultativement substitué; et n est compris entre 1 et 3. Lesdits composés ainsi que des sels de ceux-ci présentent une affinité vis-à-vis de récepteur de la dopamine D3 et ils peuvent être utiles dans le traitement par exemple de troubles psychotiques.
• 5-(2-oxyphenyl)-pyrrole derivatives as dopamine D.sub.3 receptor
  申请人：SmithKline Beecham PLC

  公开号：US05523299A1

  公开（公告）日：1996-06-04

  Compounds of formula (I), ##STR1## wherein R.sup.1 represents C.sub.1-4 alkyl; and R.sup.2, R.sup.3, R.sup.4 and R.sup.5 each independently represent hydrogen, halogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, C.sub.1-4 alkoxyC.sub.1-4 alkyl, C.sub.1-4 alkylsulphonyl, trifluoromethylsulphonyl; optionally substituted arylsulphonyl, optionally substituted heteroarylsulphonyl, optionally substituted aralkylsulphonyl, optionally substituted heteroaralkylsulphonyl, nitro, cyano, amino, mono- or di-alkylamino, trifluoromethyl, trifluoromethoxy, hydroxyl, hydroxyalkyl, C.sub.1-4 alkylthio, C.sub.1-4 alkanoyl, C.sub.1-4 alkoxycarbonyl, aminosulphonyl, alkylaminosulphonyl or dialkylaminosulphonyl; or R.sup.1 and R.sup.2 together form a linking chain-(CH.sub.2).sub.m Op (wherein m is 2 to 4 and p is zero or 1) which chain may be optionally substituted by one or two C.sub.1-4 alkyl groups; and Y represents a group selected from (a) or (b) wherein R.sup.6 and R.sup.7 independently represent hydrogen, C.sub.1-6 alkyl, optionally substituted arylC.sub.1-6 alkyl or optionally substituted heteroarylC.sub.1-6 alkyl; R.sup.8 represents C.sub.1-6 alkyl, C.sub.3-6 alkenyl or C.sub.3-6 cycloalkylC.sub.1-4 alkyl; and R.sup.9 represents C.sub.1-6 alkyl; C.sub.3-6 alkenyl; C.sub.3-6 cycloalkylC.sub.1-4 alkyl, optionally substituted arylC.sub.1-4 alkyl or optionally substituted heteroarylC.sub.1-4 alkyl; or NR.sup.8 R.sup.9 forms a heterocyclic ring (with the proviso that NR.sup.8 R.sup.9 is not piperazine); R.sup.10 represents C.sub.1-6 alkyl; C.sub.3-6 alkenyl; C.sub.3-6 cycloalkylC.sub.1-4 alkyl, optionally substituted arylC.sub.1-4 alkyl, or optionally substituted heteroarylC.sub.1-4 alkyl; and n is 1 to 3; and salts thereof, have affinity for dopamine D.sub.3 receptors and may be useful in the treatment of e.g., psychotic disorders.

  式(I)的化合物，其中R.sup.1代表C.sub.1-4烷基；而R.sup.2、R.sup.3、R.sup.4和R.sup.5分别独立地代表氢、卤素、C.sub.1-4烷基、C.sub.1-4烷氧基、C.sub.1-4烷氧基C.sub.1-4烷基、C.sub.1-4烷基磺酰基、三氟甲基磺酰基；可选择地取代的芳基磺酰基、可选择地取代的杂环芳基磺酰基、可选择地取代的芳基烷基磺酰基、可选择地取代的杂环烷基磺酰基、硝基、氰基、氨基、单烷基或双烷基氨基、三氟甲基、三