4-hydroxy-4-(3-(methylthio)phenyl)-1-propylpiperidin-1-ium chloride | 882737-41-9

• 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: 4-hydroxy-4-(3-(methylthio)phenyl)-1-propylpiperidin-1-ium chloride
• 英文别名: 4-(3-Methylsulfanylphenyl)-1-propylpiperidin-1-ium-4-ol;chloride；4-(3-methylsulfanylphenyl)-1-propylpiperidin-1-ium-4-ol;chloride
• CAS: 882737-41-9
• 化学式: C₁₅H₂₃NOS*ClH
• 分子量: 301.881
• InChiKey: WIXIJTZDQPAOPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.52
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  50
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-hydroxy-4-(3-(methylthio)phenyl)-1-propylpiperidin-1-ium chloride 生成 4-(3-甲硫基苯基)-1-丙基-1,2,3,6-四氢吡啶
  参考文献：
  名称：

  [EN] PROCESS FOR THE SYNTHESIS OF 4-(3-METHANESULFONYLPHENYL)-1-N-PROPYL-PIPERIDINE
  [FR] PROCEDE DE SYNTHESE DE 4-(3-METHANESULFONYLPHENYL)-1-N-PROPYL-PIPERIDINE

  摘要：

  本发明涉及制备4-(3-甲磺酰基苯基)-1-N-丙基哌啶(I)或其药学上可接受的盐的过程，包括：使用催化氧化剂和氧化剂氧化式为(II)的硫醚，得到式为(III)的化合物，然后催化还原式为(III)的化合物。

  公开号：

  WO2006040155A1
• 作为产物：
  描述：

  N-丙基-4-哌啶酮 、 3-溴硫代苯甲醚 在 正己基锂 、 盐酸 作用下， 以 四氢呋喃 、 正己烷 、 甲基叔丁基醚 、 水 为溶剂， 反应 2.0h， 生成 4-hydroxy-4-(3-(methylthio)phenyl)-1-propylpiperidin-1-ium chloride
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING PRIDOPIDINE
  [FR] PROCÉDÉ DE PRÉPARATION DE PRIDOPIDINE

  摘要：

  这项发明提供了一种固体形式的普利多品（pridopidine）基础物质，一种制备固体普利多品基础物质的方法，以及包括普利多品基础物质的组合物，其中包括一种药物组合物。

  公开号：

  WO2017015609A1

文献信息

• ANALOGS OF PRIDOPIDINE, THEIR PREPARATION AND USE
  申请人：Schmidt Malle

  公开号：US20150374677A1

  公开（公告）日：2015-12-31

  This invention provides an isolated compound having the structure: or a salt thereof. The invention also provides for a process for preparing 4-(3-(methylsulfonyl)phenyl)-1-propylpiperidin-4-ol, 1-(3,3-bis(3-(methylsulfonyl)phenyl)propyl)-4-(3-(methylsulfonyl) phenyl)piperidone, 1,4-bis((3-(1-propylpiperidin-4-yl)phenyl)sulfonyl)butane, (3R,4S)-4-(3-(methylsulfonyl)phenyl)-1-propylpiperidin-3-ol, 4-(3-(methylsulfonyl)phenyl)-1-propylpiperidine 1-oxide, 1-(2-methylpentyl)-4-(3-(methylsulfonyl)phenyl)piperidine, 4-(3-(methylsulfinyl)phenyl)-1-propyl-1,2,3,6-tetrahydropyridne, and 4-(3-(methylsulfonyl)phenyl)-1-propyl-1,2,3,6-tetrahydropyridine. This invention also provides an impurity or a salt thereof for use, as a reference standard to detect trace amounts of the impurity in a pharmaceutical composition comprising pridopidine or a pharmaceutically acceptable salt thereof. This invention further provides a process for producing a pridopidine drug product comprising obtaining a pridopidine drug substance and mixing the pridopidine drug substance with suitable excipients so as to produce the pridopidine drug product. This invention also provides a process for producing a pridopidine drug product. This invention also provides a process of distributing a pridopidine drug product.

  这项发明提供了一种具有以下结构的隔离化合物或其盐。该发明还提供了一种制备4-(3-(甲磺基)苯基)-1-丙基哌啶-4-醇、1-(3,3-双(3-(甲磺基)苯基)丙基)-4-(3-(甲磺基)苯基)哌啶酮、1,4-双((3-(1-丙基哌啶-4-基)苯基)磺酰基)丁烷、(3R,4S)-4-(3-(甲磺基)苯基)-1-丙基哌啶-3-醇、4-(3-(甲磺基)苯基)-1-丙基哌啶-1-氧化物、1-(2-甲基戊基)-4-(3-(甲磺基)苯基)哌啶、4-(3-(甲磺基亚硫基)苯基)-1-丙基-1,2,3,6-四氢吡啶和4-(3-(甲磺基)苯基)-1-丙基-1,2,3,6-四氢吡啶的过程。该发明还提供了一种用作参考标准的杂质或其盐，用于检测含普利多匹定或其药学上可接受的盐的药物组合物中微量杂质。该发明还提供了一种生产普利多匹定药物产品的过程，包括获得普利多匹定药物物质并将其与适当的赋形剂混合以生产普利多匹定药物产品。该发明还提供了一种生产普利多匹定药物产品的过程。该发明还提供了一种分发普利多匹定药物产品的过程。
• Modulators of dopamine neurotransmission
  申请人：Sonesson Clas

  公开号：US20060135531A1

  公开（公告）日：2006-06-22

  A 3-substituted 4-(phenyl-N-alkyl)-piperazine compound of the following formula: wherein R 1 is selected from the group consisting of OSO 2 CF 3 , OSO 2 CH 3 , SO 2 R 3 , COCF 3 , COCH 3 and COCH 2 CH 3 , wherein R 3 is as defined hereafter; R 2 is selected from the group consisting of C 1 -C 4 alkyls, allyl, CH 2 CH 2 CH 2 F, CH 2 CF 3 , 3,3,3-trifluoropropyl and 4,4,4-trifluorobutyl; R 3 is selected from the group consisting of C 1 -C 3 alkyls, CF 3 , and N(CH 3 ) 2 ; with the proviso that when R 1 is SO 2 R 3 and R 3 is a C 1 -C 3 alkyl, then R 2 is not CH 2 CH 2 OCH 3 ; or a pharmaceutically acceptable salt thereof are provided. Also, pharmaceutical compositions comprising the above compound and methods wherein the above compound is used for the treatment of various disorders are provided.

  提供以下式子的3-取代的4-(苯基-N-烷基)-哌嗪化合物： 其中，R1选自以下群组：OSO2CF3、OSO2CH3、SO2R3、COCF3、COCH3和COCH2CH3，其中R3如下所定义；R2选自以下群组：C1-C4烷基、烯丙基、CH2CH2CH2F、CH2CF3、3,3,3-三氟丙基和4,4,4-三氟丁基；R3选自以下群组：C1-C3烷基、CF3和N(CH3)2；但是当R1为SO2R3且R3为C1-C3烷基时，R2不是CH2CH2OCH3。还提供了该化合物的药物可接受盐。此外，还提供了包含上述化合物的制药组合物以及使用上述化合物治疗各种疾病的方法。
• Analogs of pridopidine, their preparation and use
  申请人：Schmidt Malle

  公开号：US10130621B2

  公开（公告）日：2018-11-20

  This invention provides an isolated compound having the structure: or a salt thereof. The invention also provides for a process for preparing 4-(3-(methylsulfonyl)phenyl)-1-propylpiperidin-4-ol, 1-(3,3-bis(3-(methylsulfonyl)phenyl)propyl)-4-(3-(methylsulfonyl) phenyl)piperidone, 1,4-bis((3-(1-propylpiperidin-4-yl)phenyl)sulfonyl)butane, (3R,4S)-4-(3-(methylsulfonyl)phenyl)-1-propylpiperidin-3-ol, 4-(3-(methylsulfonyl)phenyl)-1-propylpiperidine 1-oxide, 1-(2-methylpentyl)-4-(3-(methylsulfonyl)phenyl)piperidine, 4-(3-(methylsulfinyl)phenyl)-1-propyl-1,2,3,6-tetrahydropyridne, and 4-(3-(methylsulfonyl)phenyl)-1-propyl-1,2,3,6-tetrahydropyridine. This invention also provides an impurity or a salt thereof for use, as a reference standard to detect trace amounts of the impurity in a pharmaceutical composition comprising pridopidine or a pharmaceutically acceptable salt thereof. This invention further provides a process for producing a pridopidine drug product comprising obtaining a pridopidine drug substance and mixing the pridopidine drug substance with suitable excipients so as to produce the pridopidine drug product. This invention also provides a process for producing a pridopidine drug product. This invention also provides a process of distributing a pridopidine drug product.

  本发明提供了一种具有以下结构的分离化合物： 或其盐类。 本发明还提供了一种制备 4-(3-(甲磺酰基)苯基)-1-丙基哌啶-4-醇、1-(3,3-双(3-(甲磺酰基)苯基)丙基)-4-(3-(甲磺酰基)苯基)哌啶酮、1,4-双((3-(1-丙基哌啶-4-基)苯基)磺酰基)丁烷、(3R、4-(3-(甲磺酰基)苯基)-1-丙基哌啶-3-醇，4-(3-(甲磺酰基)苯基)-1-丙基哌啶 1-氧化物，1-(2-甲基戊基)-4-(3-(甲磺酰基)苯基)哌啶、4-(3-(甲磺酰基)苯基)-1-丙基-1,2,3,6-四氢吡啶，以及 4-(3-(甲磺酰基)苯基)-1-丙基-1,2,3,6-四氢吡啶。 本发明还提供了一种杂质或其盐，用作检测包含普利多哌啶或其药学上可接受的盐的药物组合物中痕量杂质的参考标准。本发明进一步提供了一种生产普利多哌啶药物产品的工艺，包括获得普利多哌啶药物物质并将普利多哌啶药物物质与合适的赋形剂混合以生产普利多哌啶药物产品。本发明还提供了一种生产普利多匹定药物产品的工艺。本发明还提供了一种分配普利多匹定药物产品的工艺。
• [EN] ANALOGS OF PRIDOPIDINE, THEIR PREPARATION AND USE<br/>[FR] ANALOGUES DE PRIDOPIDINE, LEUR PRÉPARATION ET UTILISATION
  申请人：TEVA PHARMA

  公开号：WO2016003919A1

  公开（公告）日：2016-01-07

  This invention provides an isolated compound having the structure: The invention also provides for a process for preparing 4-(3-(methylsulfonyl)phenyl)-1-propylpiperidin-4-ol, 1-(3,3-bis(3-(methylsulfonyl)phenyl)propyl)-4-(3-(methylsulfonyl) phenyl)piperidone, 1,4-bis((3-(1 -propylpiperidin-4-yl)phenyl)sulfonyl)butane, (3R,4S)-4-(3-(methylsulfonyl)phenyl)-1-propylpiperidin-3-ol, 4-(3-(methylsulfonyl)phenyl)-l-propylpiperidine 1- oxide, 1-(2-methylpentyl)-4-(3-(methylsulfonyl)phenyl)piperidine, 4-(3-(methylsulfinyl)phenyl)-1-propyl-1,2,3,6-tetrahydropyridine, and 4-(3-(methylsulfonyl)phenyl)-1-propyl-1,2,3,6-tetrahydropyridine. This invention also provides an impurity or a salt thereof for use, as a reference standard to detect trace amounts of the impurity in a pharmaceutical composition comprising pridopidine or a pharmaceutically acceptable salt thereof. This invention further provides a process for producing a pridopidine drug product comprising obtaining a pridopidine drug substance and mixing the pridopidine drug substance with suitable excipients so as to produce the pridopidine drug product. This invention also provides a process for producing a pridopidine drug product. This invention also provides a process of distributing a pridopidine drug product.
• [EN] PROCESS FOR THE SYNTHESIS OF 4-(3-METHANESULFONYLPHENYL)-1-N-PROPYL-PIPERIDINE<br/>[FR] PROCEDE DE SYNTHESE DE 4-(3-METHANESULFONYLPHENYL)-1-N-PROPYL-PIPERIDINE
  申请人：CARLSSON A RESEARCH AB

  公开号：WO2006040155A1

  公开（公告）日：2006-04-20

  The present invention is directed to processes for the preparation of 4-(3-methanesulfonyl-phenyl)-1-N-propylpiperidine (I) or a pharmaceutically acceptable salt thereof, which comprises: oxidizing a sulfide of the formula (II): with a catalytic oxidizing agent and an oxidant; to give a compound of the formula (III): followed by catalytic reduction of the compound of the formula (III).

  本发明涉及制备4-(3-甲磺酰基苯基)-1-N-丙基哌啶(I)或其药学上可接受的盐的过程，包括：使用催化氧化剂和氧化剂氧化式为(II)的硫醚，得到式为(III)的化合物，然后催化还原式为(III)的化合物。