3beta-(4-Fluorophenyl)tropane-2beta-carboxylic acid methyl ester

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: 3beta-(4-Fluorophenyl)tropane-2beta-carboxylic acid methyl ester
• 英文别名: methyl (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
• 化学式: C₁₆H₂₀FNO₂
• 分子量: 277.33
• InChiKey: QUSLQENMLDRCTO-JYVUQVBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Diagnostic and therapeutic alkyl piperidine/piperazine compounds and process
  申请人：Elmaleh R. David

  公开号：US20050222166A1

  公开（公告）日：2005-10-06

  Piperidine or piperazine compounds useful for treating neurodegenerated diseases characterized by the lack of dopamine neurons activity or for imaging the dopamine neurons are provided. The compounds are characterized by the formulae: wherein: n is an integer of 1 to 6; X, Y, Z 1 and Z 2 can be the same or different and are hydrogen, halo, haloalkyl, alkyl, aryl, (C 1 -C 6 ) alkoxy, N-alkyl,(C 2 -C 6 ) acyloxy, N-alkylene, —SH, —SR, wherein R is from the same group as R 1 and R 2 and can be the same or different than R 1 and R 2 , amino, nitro, cyano, hydroxy, C(═O) OR 6 , —C(═O) NR 5 R 4 , NR 3 R 2 , or S(αO) k R 1 wherein k is 1 or 2, and R 1 to R 6 are independently hydrogen or (C 1 -C 6 ) alkyl; R 1 , and R 2 can be the same or different and are hydrogen, (C 1 -C 6 ) alkyl, hydroxyalkyl or mercaptoalkyl, —C(═O) OR 1 , cyano, (C 1 -C 6 ) alkenyl, (C 2 -C 6 ) alkynyl, or 1,2,4-oxadiazol-5-yl optionally substituted at the 3-position by Z 4 wherein any (C 1 -C 6 ) alky, (C 1 -C 6 ) alkanoyl, (C 2 -C 6 ) alkenyl or (C 2 -C 6 ) alkynyl can optionally be substituted by 1, 2 or 3 Z; R 7 can be hydrogen, O or phenyl R 8 can be hydrogen, phenyl, halophenyl, nitrophenyl, pyridyl, piperonyl or sulfoxonitrophenyl Z 4 is (C 1 -C 6 ) alkyl or phenyl, optionally substituted by 1, 2 or 3 Z 1 W is O or S T is amino or C 1 -C 6 aminoalkyl A is N or C T is C 1 -C 6 alklyl or sulfonyl and V is alkyl (C 0 -C 6 ), alkenyl, alkynyl, haloaryl, alkyl phenol, alkyl halophenyl, and R 1 or R 2 as indicated above and φ is phenyl, naphthyl, thienyl or pyridinyl.

  提供用于治疗由多巴胺神经元活动缺乏特征的神经退行性疾病或用于成像多巴胺神经元的哌啶或哌嗪化合物。这些化合物的特征是由以下公式确定：其中：n为1至6的整数；X、Y、Z1和Z2可以相同也可以不同，是氢、卤素、卤代烷基、烷基、芳基、（C1-C6）烷氧基、N-烷基、（C2-C6）酰氧基、N-烷基烯、—SH、—SR，其中R与R1和R2相同且可以与R1和R2不同，氨基、硝基、氰基、羟基、C(═O)OR6、—C(═O)NR5R4、NR3R2或S(αO)kR1，其中k为1或2，R1至R6独立地为氢或（C1-C6）烷基；R1和R2可以相同也可以不同，是氢、（C1-C6）烷基、羟基烷基或巯基烷基、—C(═O)OR1、氰基、（C1-C6）烯基、（C2-C6）炔基或1,2,4-噁二唑-5-基，在3-位可选择地由Z4取代，其中任何（C1-C6）烷基、（C1-C6）酰基、（C2-C6）烯基或（C2-C6）炔基可选择地由1、2或3个Z取代；R7可以是氢、氧或苯基；R8可以是氢、苯基、卤苯基、硝基苯基、吡啶基、哌罗基或磺氧硝基苯基；Z4是（C1-C6）烷基或苯基，可选择地由1、2或3个Z取代；W是氧或硫；T是氨基或C1-C6氨基烷基；A是N或C；T是C1-C6烷基或磺酰基；V是烷基（C0-C6）、烯基、炔基、卤代芳基、烷基酚、烷基卤苯基，以及如上所示的R1或R2；φ是苯基、萘基、噻吩基或吡啉基。
• Therapeutic compounds
  申请人：——

  公开号：US20030232827A1

  公开（公告）日：2003-12-18

  This invention to antagonists that inhibit transporters and receptors. The invention also relates to partial inhibitors of transporters and receptors that allow partial transport or partial binding of a compound to the transporter or receptor. The invention also relates to compounds that differentially prevent transport or binding through a transporter or to a receptor. The invention also relates to the use of these compounds for treating certain diseases and disorders.

  这项发明涉及抑制转运体和受体的拮抗剂。该发明还涉及部分抑制剂，允许化合物部分转运或部分结合到转运体或受体。该发明还涉及不同程度地阻止通过转运体或受体的转运或结合的化合物。该发明还涉及利用这些化合物治疗某些疾病和疾病。
• Tropane compounds
  申请人：——

  公开号：US20030232819A1

  公开（公告）日：2003-12-18

  The present invention provides novel tropane compounds and methods for their use.

  本发明提供了新型的托品化合物及其使用方法。
• THERAPEUTIC COMPOUNDS
  申请人：Meltzer Peter C.

  公开号：US20090048284A1

  公开（公告）日：2009-02-19

  This invention to antagonists that inhibit transporters and receptors. The invention also relates to partial inhibitors of transporters and receptors that allow partial transport or partial binding of a compound to the transporter or receptor. The invention also relates to compounds that differentially prevent transport or binding through a transporter or to a receptor. The invention also relates to the use of these compounds for treating certain diseases and disorders.

  该发明涉及抑制转运体和受体的拮抗剂。该发明还涉及部分转运体和受体的抑制剂，允许化合物部分转运或部分结合到转运体或受体。该发明还涉及差异性地防止通过转运体或受体的转运或结合的化合物。该发明还涉及使用这些化合物治疗某些疾病和障碍。
• Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process
  申请人：Elmaleh David R.

  公开号：US20120208847A1

  公开（公告）日：2012-08-16

  Described herein are piperidine and piperazine compounds useful for treating neurodegenerated diseases characterized by a lack of dopamine neuron activity. The compounds are also useful for imaging dopamine neurons.

  本文描述了对于治疗神经退行性疾病的哌啶和哌嗪类化合物，这些疾病特征是缺乏多巴胺神经元活动。这些化合物还可用于成像多巴胺神经元。