6-fluoro-3-(4-phenyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one | 126684-44-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 6-fluoro-3-(4-phenyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
• 英文别名: 6-fluoro-3-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
• CAS: 126684-44-4
• 化学式: C₂₂H₂₄FNO
• 分子量: 337.437
• InChiKey: RGYBQFLYXNUMDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Novel compounds
  申请人：SmithKline Beecham SpA

  公开号：US20040024218A1

  公开（公告）日：2004-02-05

  Compounds of formula I, or a salt thereof or a hydrate thereof, as follows: 1 wherein X and Y are selected independently from hydrogen and aryl, which aryl is unsubstituted or substituted one or more times by hydroxy, hydroxyC 1-6 alkyl, C 1-6 alkoxyC 1-6 alkyl, aryl, heterocyclyl, amino, C 1-6 alkylamino, di(C 1-6 alkyl)amino, arylC 1-6 alkoxy, C 1-6 alkyl, C 1-6 alkoxy or halo, which alkyl or alkoxy groups are unsubstituted or substituted one or more times by halo; m and n are independently 0 to 3, provided that m and n are not both 0; A represents a single bond or is —(CR pa R pb ) p — wherein p is 1-3 and R pa and R pb are selected independently from hydrogen, C 1-6 alkyl, C 1-6 alkoxy and halo, which alkyl or alkoxy groups are independently substituted one or more times by halo; B represents a C 4-8 saturated or unsaturated ring, which ring is unsubstituted or substituted one or more times by C 1-6 alkyl, C 1-6 alkoxy, aryl, aryloxy, hydroxy, oxo, halo, amino, C 1-6 alkylamino, di(C 1-6 alkyl)amino, and C 1-6 alkylamido, which C 1-6 alkyl or C 1-6 alkoxy groups are unsubstituted or substituted one or more times by halo, which aryl group is unsubstituted or substituted one or more times by aryl, heterocyclyl, aryloxy, arylC 1-6 alkoxy, amino, C 1-6 alkylamino, di(C 1-6 alkyl)amino, arylC 1-6 alkyl, hydroxy, C 1-6 alkenoxy, C 1-6 alkoxy, halo, or C 1-6 alkyl, which C 1-6 alkyl may be substituted one or more times by halo, and which aryl group is linked to said ring by a single bond or is benzo-condensed therewith are ligands of the ORL-1 receptor.

  式I的化合物，或其盐或水合物，如下所示：其中X和Y分别选择自氢和芳基，所述芳基未取代或被羟基、羟基C1-6烷基、C1-6烷氧基C1-6烷基、芳基、杂环烷基、氨基、C1-6烷基氨基、二(C1-6烷基)氨基、芳基C1-6烷氧基、C1-6烷基、C1-6烷氧基或卤素取代一次或多次，其中烷基或烷氧基基团未取代或被卤素取代一次或多次；m和n独立地为0到3，但要求m和n不能同时为0；A代表单键或为—(CRpaRpb)p—，其中p为1-3且Rpa和Rpb独立选择自氢、C1-6烷基、C1-6烷氧基和卤素，其中烷基或烷氧基基团独立地被卤素取代一次或多次；B代表C4-8饱和或不饱和环，所述环未取代或被C1-6烷基、C1-6烷氧基、芳基、芳氧基、羟基、氧代、卤素、氨基、C1-6烷基氨基、二(C1-6烷基)氨基和C1-6烷酰胺取代一次或多次，其中C1-6烷基或C1-6烷氧基基团未取代或被卤素取代一次或多次，所述芳基未取代或被芳基、杂环烷基、芳氧基、芳基C1-6烷氧基、氨基、C1-6烷基氨基、二(C1-6烷基)氨基、芳基C1-6烷基、羟基、C1-6烯氧基、C1-6烷氧基、卤素或C1-6烷基取代一次或多次，所述C1-6烷基可能被卤素取代一次或多次，所述芳基通过单键与所述环相连或与之苯并结合的化合物是ORL-1受体的配体。
• N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS
  申请人：Smithkline Beecham S.p.A.

  公开号：EP1129072A2

  公开（公告）日：2001-09-05
• US6969724B2
  申请人：——

  公开号：US6969724B2

  公开（公告）日：2005-11-29
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：SMITHKLINE BEECHAM SPA

  公开号：WO2000027815A2

  公开（公告）日：2000-05-18

  Compounds of formula (I) or a salt thereof or a hydrate thereof, as follows: wherein X and Y are selected independently from hydrogen and aryl, which aryl is unsubstituted or substituted one or more times by hydroxy, hydroxyC1-6alkyl, C1-6alkoxyC1-6alkyl, aryl, heterocyclyl, amino, C1-6alkylamino, di(C1-6alkyl)amino, arylC1-6alkoxy, C1-6alkyl, C1-6alkoxy or halo, which alkyl or alkoxy groups are unsubstituted or substituted one or more times by halo; m and n are independently 0 to 3, provided that m and n are not both 0; A represents a single bond or is -(CRpa Rpb)p- wherein p is 1-3 and Rpa and Rpb are selected independently from hydrogen, C1-6alkyl, C1-6alkoxy and halo, which alkyl or alkoxy groups are independently substituted one or more times by halo; B represents a C4-8 saturated or unsaturated ring, which ring is unsubstituted or substituted one or more times by C1-6alkyl, C1-6alkoxy, aryl, aryloxy, hydroxy, oxo, halo, amino, C1-6alkylamino, di(C1-6alkyl)amino, and C1-6alkylamido, which C1-6alkyl or C1-6alkoxy groups are unsubstituted or substituted one or more times by halo, which aryl group is unsubstituted or substituted one or more times by aryl, heterocyclyl, aryloxy, arylC1-6alkoxy, amino, C1-6alkylamino, di(C1-6alkyl)amino, arylC1-6alkyl, hydroxy, C1-6alkenoxy, C1-6alkoxy, halo, or C1-6, which C1-6alkyl may be substituted one or more times by halo, and which aryl group is linked to said ring by a single bond or is benzo-condensed therewith are ligands of the ORL-1 receptor.