3-piperidin-4-yl-propan-1-ol acetic acid salt

• 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: 3-piperidin-4-yl-propan-1-ol acetic acid salt
• 英文别名: 3-(Piperidin-4-yl)propanol acetic acid salt；3-piperidin-4-yl-propan-1-ol acetate；acetic acid;3-piperidin-4-ylpropan-1-ol
• 化学式: C₂H₄O₂*C₈H₁₇NO
• 分子量: 203.282
• InChiKey: QUZUQRMCCJMLMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-piperidin-4-yl-propan-1-ol acetic acid salt 在 草酰氯 、 氰化钠 、 氨 、 potassium carbonate 、 二甲基亚砜 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 26.75h， 生成 1-benzyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Conformationally Constrained Histamine H₃ Receptor Agonists

  摘要：

  Immepip, a conformationally constrained analogue of the histamine congener imbutamine, shows high affinity and functional activity on the human H-3 receptor. Using histamine and its homologues as prototypes, other rigid analogues containing either a piperidine or pyrrolidine ring in the side chain were synthesized and tested for their activities at the human H-3 receptor and the closely related H-4 receptor. In the series of piperidine containing analogues, immepip was found to be the most potent H-3 receptor agonist, whereas its propylene analogue 13a was identified as a high-affinity neutral antagonist for the human H-3 receptor. Moreover, replacement of the piperidine ring of immepip by a pyrrolidine ring led to a pair of enantiomers that show a distinct stereoselectivity at the human H-3 and H-4 receptor.

  DOI：

  10.1021/jm030905y
• 作为产物：
  描述：

  4-吡啶丙醇 在 palladium 10% on activated carbon 氢气 、 溶剂黄146 作用下， 反应 144.0h， 生成 3-piperidin-4-yl-propan-1-ol acetic acid salt
  参考文献：
  名称：

  [EN] COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES
  [FR] COMPOSITIONS UTILES EN TANT QU'INHIBITEURS DE LA ROCK ET D'AUTRES PROTEINES KINASES

  摘要：

  公开号：

  WO2005105780A3

文献信息

• [EN] COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES<br/>[FR] COMPOSITIONS UTILES EN TANT QU'INHIBITEURS DE ROCK ET D'AUTRES PROTEINES KINASES
  申请人：VERTEX PHARMA

  公开号：WO2004041813A1

  公开（公告）日：2004-05-21

  The present invention relates to substitute thiazole and thiophene derivatives useful as inhibitors of rock and other protein kinaeses. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders, including proliferative, cardiac and neurodegenerative diseases.

  本发明涉及替代噻唑和噻吩衍生物，可用作岩石和其他蛋白激酶的抑制剂。该发明还提供了包括所述化合物的药学上可接受的组合物，以及在治疗各种疾病、病况或紊乱，包括增殖性、心脏和神经退行性疾病中使用这些组合物的方法。
• Fibrinogen receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US05786373A1

  公开（公告）日：1998-07-28

  Novel fibrinogen receptor antagonists of the formula: X--Y--Z-Aryl-A--B and the pharmaceutically acceptable salts thereof, wherein Aryl is a 5-membered aromatic ring system containing 1 or 2 heteroatoms chosen from N, O or S wherein ring atoms may be unsubstituted or substituted with R.sup.5 and wherein S may be substituted with 0, 1 or 2 oxygen atoms; and X comprises various Nitrogen substituents including aromatic or nonaromatic systems; Y comprises, for example, alkyl or alkylaminocarbonylalkyl groups and Z and A are substituents which when present are independently chosen from alkyl or alkyloxyalkyl or other groups as defined herein; B is (a) or (b). The claimed compounds exhibit fibrinogen receptor antagonist activity, inhibit platelet aggregation and are therefore useful in modulating or preventing thrombus formation.

  新型纤维蛋白原受体拮抗剂的化学式为：X-Y-Z-Aryl-A-B及其药学上可接受的盐，其中Aryl为含有1或2个N、O或S异原子的5元芳香环系统，环上原子可以是未取代的或取代了R.sup.5，S可以被0、1或2个氧原子取代；X包括各种氮取代基，包括芳香或非芳香系统；Y包括例如烷基或烷基氨基甲酰烷基等基团；Z和A是取代基，当存在时可以独立选择为在此处定义的烷基、烷氧基烷基或其他基团；B为(a)或(b)。所述化合物表现出纤维蛋白原受体拮抗活性，抑制血小板聚集，因此在调节或预防血栓形成方面有用。
• [EN] AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES<br/>[FR] AZAINDOLES UTILES EN TANT QU'INHIBITEURS DE LA PROTEINE SERINE/THREONINE KINASE SUPERHELICE DE LA FAMILLE RHO (ROCK) ET D'AUTRES PROTEINES KINASES
  申请人：VERTEX PHARMA

  公开号：WO2005103050A3

  公开（公告）日：2006-10-05
• EP0667773A4
  申请人：——

  公开号：EP0667773A4

  公开（公告）日：1996-09-25
• FIBRINOGEN RECEPTOR ANTAGONISTS
  申请人：MERCK & CO. INC.

  公开号：EP0667773A1

  公开（公告）日：1995-08-23