1-[3-(4-isopropenylphenyl)-(2S,3S)-8-azabicyclo[3.2.1]oct-2-yl]-1-propanone

• 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: 1-[3-(4-isopropenylphenyl)-(2S,3S)-8-azabicyclo[3.2.1]oct-2-yl]-1-propanone
• 英文别名: 1-[(2S,3S)-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
• 化学式: C₁₉H₂₅NO
• 分子量: 283.4
• InChiKey: MKXUKRGNCYWSRF-AFNJWWOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Tropane analogs and methods for inhibition of monoamine transport
  申请人：——

  公开号：US20030105125A1

  公开（公告）日：2003-06-05

  New tropane analogs that bind to monoamine transporters are described, particularly, 8-aza, 8carbo and 8-oxo tropanes having 6- or 7-hydroxyl or ketone substituents. The compounds of the present invention can be racemic, pure R-enantiomers, or pure S-enantiomers. Certain preferred compounds of the present invention have a high selectivity for the DAT versus the SERT. Also described are pharmaceutical therapeutic compositions comprising the compounds formulated in a pharmaceutically acceptable carrier and a method for inhibiting 5-hydroxy-tryptamine reuptake of a monoamine transporter by contacting the monoamine transporter with a 5-hydroxytryptamine reuptake inhibiting amount of a compound of the present invention. Preferred monoamine transporters for the practice of the present invention include the dopamine transporter, the serotonin transporter and the norepinephrine transporter.

  描述了结合到单胺转运体的新的曲梯酮类似物，特别是8-氮杂、8-羰基和8-酮基曲梯酮，具有6-或7-羟基或酮基取代基。本发明的化合物可以是外消旋体、纯R-对映体或纯S-对映体。本发明的某些优选化合物对DAT与SERT具有很高的选择性。还描述了包含所述化合物的药用治疗组合物，其配制在药用可接受载体中，并通过将所述单胺转运体与本发明的化合物的5-羟色胺再摄取抑制量接触的方法来抑制单胺转运体的5-羟色胺再摄取。本发明实施的首选单胺转运体包括多巴胺转运体、5-羟色胺转运体和去甲肾上腺素转运体。
• Tropane analogs and methods for inhibition of monoamine
  申请人：——

  公开号：US20030069269A1

  公开（公告）日：2003-04-10

  New tropane analogs that bind to monoamine transporters are described, particularly, 8-aza, 8carbo and 8-oxo tropanes having 6- or 7- substituents. The compounds of the present invention can be racemic, pure R-enantiomers, or pure S-enantiomers Certain preferred compounds of the present invention have a high selectivity for the DAT versus the SERT. Also described are pharmaceutical therapeutic compositions comprising the compounds formulated in a pharmaceutically acceptable carrier and a method for inhibiting 5-hydroxy-tryptamine reuptake of a monoamine transporter by contacting the monoamine transporter with a 5-hydroxytryptamine reuptake inhibiting amount of a compound of the present invention. Preferred monoamine transporters for the practice of the present invention include the dopamine transporter, the serotonin transporter and the norepinephrine transporter.

  本文描述了能够结合单胺转运体的新的范围内的替罗巴因类似物，特别是具有6-或7-取代基的8-氮杂、8-碳基和8-氧杂替罗巴因。本发明的化合物可以是外消旋体、纯R对映体或纯S对映体。本发明的某些优选化合物具有高选择性，能够选择性地结合到多巴胺转运体而不是选择性地结合到血清素转运体。此外，本文还描述了制备药物治疗组合物的方法，该组合物包括以药学可接受的载体为基础的化合物，并通过将本发明的化合物与单胺转运体接触来抑制5-羟色胺的再摄取。本发明实施的优选单胺转运体包括多巴胺转运体、血清素转运体和去甲肾上腺素转运体。
• TROPANE ANALOGS AND METHODS FOR INHIBITION OF MONOAMINE TRANSPORT
  申请人：ORGANIX, INC.

  公开号：EP0996619B1

  公开（公告）日：2005-01-05
• US5948933A
  申请人：——

  公开号：US5948933A

  公开（公告）日：1999-09-07
• US6353105B1
  申请人：——

  公开号：US6353105B1

  公开（公告）日：2002-03-05