[1-(2-苯基乙基)哌啶-4-基]甲醇 | 67686-02-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [1-(2-苯基乙基)哌啶-4-基]甲醇
• 英文名称: 1-(2-phenylethyl)-4-(hydroxymethyl)piperidine
• 英文别名: 1-(2-phenylethyl)-4-piperidinemethanol；(1-phenethyl-piperidin-4-yl)-methanol；4-Hydroxymethyl-1-(2-phenylethyl)-piperidin；N-Phenaethyl-4-hydroxymethyl-piperidin；N-Phenethyl-4-hydroxymethylpiperidin；[1-(2-Phenylethyl)piperidin-4-yl]methanol
• CAS: 67686-02-6
• 化学式: C₁₄H₂₁NO
• mdl: MFCD08691503
• 分子量: 219.327
• InChiKey: GBSSHKIMVABZLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  [1-(2-苯基乙基)哌啶-4-基]甲醇 以85%的产率得到
  参考文献：
  名称：

  POPP F. D.; WATTS R. F., J. HETEROCYCL. CHEM., 1978, 15, NO 4, 675-676

  摘要：

  DOI：
• 作为产物：
  描述：

  6-phenethyl-1-oxa-6-azaspiro[2.5]octane 以70%的产率得到
  参考文献：
  名称：

  POPP F. D.; WATTS R. F., J. HETEROCYCL. CHEM., 1978, 15, NO 4, 675-676

  摘要：

  DOI：

文献信息

• Structure−Activity Relationship Studies of Novel 4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine Analogs:  Synthesis and Biological Evaluation at the Dopamine and Serotonin Transporter Sites
  作者：Aloke K. Dutta、Cen Xu、Maarten E. A. Reith

  DOI：10.1021/jm9506581

  日期：1996.1.1

  Several analogs of the potent dopamine (DA) transporter ligand 4-[2-[bis(4-fluorophenyl)-methoxy]ethyl]-1-(3-phenylpropyl)piperidine, 1b, were made and biologically evaluated for their binding at the DA and serotonin (5HT) transporters in rat striatal membranes. Different alkyl chain lengths and substitutions were introduced in these molecules to generate an optimum activity and selectivity for the

  制备了强效多巴胺（DA）转运蛋白配体4- [2- [双（4-氟苯基）-甲氧基]乙基] -1-（3-苯基丙基）哌啶的类似物1b，并对其在生物学上的结合进行了生物学评估。大鼠纹状体膜中的DA和血清素（5HT）转运蛋白。在这些分子中引入了不同的烷基链长度和取代基，以产生针对DA转运蛋白的最佳活性和选择性。通常，未取代的和氟取代的化合物对于DA转运蛋白是最活跃和最具选择性的。化合物4- [2-（二苯基甲氧基）乙基] -1-苄基哌啶9a显示出高效价，并且在该系列化合物中对DA转运蛋白的选择性最高（5HT / DA = 49）。发现其中一些新颖的类似物比原始GBR 12909分子在DA转运蛋白上的结合更具选择性，
• Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions
  申请人：Tuerdi Huji

  公开号：US20050261244A1

  公开（公告）日：2005-11-24

  The present invention provides novel ureas containing N-aryl or N-heteroaryl substituted heterocycles and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了含有N-芳基或N-杂环芳基取代的杂环化合物及其类似物的新型脲类化合物，这些化合物是人类P2Y1受体的选择性抑制剂。该发明还提供了相应的各种药物组合物以及调节P2Y1受体活性治疗对其敏感的疾病的方法。
• [EN] COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT<br/>[FR] COMPOSÉ PRÉSENTANT UNE ACTIVITÉ SÉROTONINERGIQUE, SON PROCÉDÉ DE FABRICATION ET COMPOSITION PHARMACEUTIQUE LA COMPRENANT
  申请人：ACRAF

  公开号：WO2010012611A1

  公开（公告）日：2010-02-04

  Compound of formula (I) in which R1, R2 and R3 are defined in the following description, and the pharmaceutically acceptable acid-addition or base-addition salts thereof. The invention also relates to a process and an intermediate for preparing it, and to a pharmaceutical composition comprising it. The invention also relates to the use of a novel 2H-pyrrolo[3,4-c]quinoline compound for preparing a pharmaceutical composition that is active in the treatment of disturbances of the serotoninergic system.

  化合物的化学式（I），其中R1、R2和R3在以下描述中定义，并其药学上可接受的酸加合物或碱加合物盐。本发明还涉及用于制备该化合物的过程和中间体，以及包含它的药物组合物。本发明还涉及使用一种新型2H-吡咯并[3,4-c]喹啉化合物制备对5-羟色胺系统紊乱治疗有效的药物组合物。
• UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS
  申请人：Chao Hannguang J.

  公开号：US20080280905A1

  公开（公告）日：2008-11-13

  The present invention provides novel pyridyl or phenyl ureas and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了新型吡啶基或苯基脲及其类似物，它们是选择性的人类P2Y1受体抑制剂。本发明还提供了各种该类药物组成物和调节P2Y1受体活性以治疗对其反应的疾病的方法。
• COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT
  申请人：Alisi Maria Alessandra

  公开号：US20110160201A1

  公开（公告）日：2011-06-30

  Compound of formula (I) in which R1, R2 and R3 are defined in the following description, and the pharmaceutically acceptable acid-addition or base-addition salts thereof. The invention also relates to a process and an intermediate for preparing it, and to a pharmaceutical composition comprising it. The invention also relates to the use of a novel 2H-pyrrolo[3,4-c]quinoline compound for preparing a pharmaceutical composition that is active in the treatment of disturbances of the serotoninergic system.

  公式（I）的复合物，其中R1、R2和R3的定义如下所述，并且其药学上可接受的酸加成物或碱加成物盐。本发明还涉及一种制备它的过程和中间体，以及包含它的制药组合物。本发明还涉及使用一种新的2H-吡咯并[3,4-c]喹啉化合物制备具有治疗5-羟色胺系统紊乱活性的制药组合物。