4-[(4-氟苯基)亚甲基]哌啶 | 661452-53-5

• 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: 4-[(4-氟苯基)亚甲基]哌啶
• 英文名称: 4-[(4-fluorophenyl)methylidene]piperidine
• CAS: 661452-53-5
• 化学式: C₁₂H₁₄FN
• 分子量: 191.248
• InChiKey: VRXMRTHXSVWNQC-UHFFFAOYSA-N

物化性质

• 沸点：
  295.3±30.0 °C(Predicted)
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-溴丙炔 、 4-[(4-氟苯基)亚甲基]哌啶 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(4-fluorobenzylidene)-1-(prop-2-yn-1-yl)-piperidine
  参考文献：
  名称：

  Subtype selective NMDA receptor antagonists: evaluation of some novel alkynyl analogues

  摘要：

  A benzylpiperidine analogue with an acetylenic linker, 5-{3-[4-(4-fluorobenzyl)-piperidin-1-yl]-prop-1-ynyl}-1,3-dihydrobenzimidazol-2-one (3), was identified as a chemical lead with excellent activity at the NR1A/2B receptor (IC50 = 3 nM). Efforts to optimize this activity led to focused modifications around the structural motif of 3. The synthesis and SAR studies are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.049

文献信息

• [EN] DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] AZÉTIDINES, PYRROLIDINES, PIPÉRIDINES ET AZÉPANES DI-SUBSTITUÉS EN TANT QU'INHIBITEURS DE MONOAMINE OXYDASE B POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：UNIV OF LJUBLJANA

  公开号：WO2018055096A1

  公开（公告）日：2018-03-29

  This invention relates to new inhibitors of MAO-Bwith the general formula I, where substituents are described in patent description. Compounds can be in the form of pure enantiomers or as racemic mixtures, or in the form of pharmaceutically acceptable salts. The present invention relates to the use of these inhibitors for the alleviation of symptoms and treatment of acute and chronic neurological disorders, cognitive and neurodegenerative diseases.

  这项发明涉及具有一般式I的新MAO-B抑制剂，其中取代基在专利描述中有描述。化合物可以是纯对映体的形式，也可以是消旋混合物的形式，或者是药用盐的形式。本发明涉及利用这些抑制剂缓解症状和治疗急性和慢性神经疾病、认知和神经退行性疾病。
• Substituted piperidines thiazolyl acetamides as glycosidase inhibitors and uses thereof
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10913733B2

  公开（公告）日：2021-02-09

  The present invention is directed to thiazolyl piperidine compounds of the general structural formula I: which are inhibitors of O-GlcNAcase. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which O-GlcNAcase is involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which O-GlcNAcase is involved.

  本发明涉及通式 I 的噻唑基哌啶化合物： 的噻唑基哌啶化合物，它们是O-GlcNA酶的抑制剂。本发明还涉及本文所述化合物在潜在治疗或预防涉及 O-GlcNA 酶的神经和精神疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗O-GlcNA酶参与的此类疾病中的用途。
• GLYCOSIDASE INHIBITORS AND USES THEREOF
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3389658B1

  公开（公告）日：2020-11-25
• Subtype selective NMDA receptor antagonists: evaluation of some novel alkynyl analogues
  作者：Brian E. Kornberg、Sham S. Nikam、Jon L. Wright、Suzanne R. Kesten、Leonard T. Meltzer、Linda Coughenour、Bridget Barr、Kevin A. Serpa、Julie McCormick

  DOI：10.1016/j.bmcl.2003.12.049

  日期：2004.3

  A benzylpiperidine analogue with an acetylenic linker, 5-3-[4-(4-fluorobenzyl)-piperidin-1-yl]-prop-1-ynyl}-1,3-dihydrobenzimidazol-2-one (3), was identified as a chemical lead with excellent activity at the NR1A/2B receptor (IC50 = 3 nM). Efforts to optimize this activity led to focused modifications around the structural motif of 3. The synthesis and SAR studies are discussed. (C) 2003 Elsevier Ltd. All rights reserved.