4-(chloro(phenyl)methyl)piperidine | 1013330-17-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(chloro(phenyl)methyl)piperidine
• 英文别名: 4-[chloro(phenyl)methyl]piperidine
• CAS: 1013330-17-0
• 化学式: C₁₂H₁₆ClN
• 分子量: 209.719
• InChiKey: VYGNVKLFXCICML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(chloro(phenyl)methyl)piperidine 、 N-Boc-哌嗪 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Structure–activity relationships of diphenylpiperazine N-type calcium channel inhibitors

  摘要：

  A novel series of compounds derived from the previously reported N-type calcium channel blocker NP118809 (1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one) is described. Extensive SAR studies resulted in compounds with IC50 values in the range of 10-150 nM and selectivity over the L-type channels up to nearly 1200-fold. Orally administered compounds 5 and 21 exhibited both anti-allodynic and anti-hyperalgesic activity in the spinal nerve ligation model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.008
• 作为产物：
  描述：

  苯基(4-哌啶基)甲醇 在 氯化亚砜 作用下， 生成 4-(chloro(phenyl)methyl)piperidine
  参考文献：
  名称：

  Structure–activity relationships of diphenylpiperazine N-type calcium channel inhibitors

  摘要：

  A novel series of compounds derived from the previously reported N-type calcium channel blocker NP118809 (1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one) is described. Extensive SAR studies resulted in compounds with IC50 values in the range of 10-150 nM and selectivity over the L-type channels up to nearly 1200-fold. Orally administered compounds 5 and 21 exhibited both anti-allodynic and anti-hyperalgesic activity in the spinal nerve ligation model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.008

文献信息

• DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS
  申请人：Pajouhesh Hassan

  公开号：US20100168103A1

  公开（公告）日：2010-07-01

  Methods and compounds effective in ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted N-type calcium channel activity are disclosed. Specifically, a series of diaryl piperidine compounds are disclosed of the general formula (I) where X is a linker and Y may be C, O, S or N.

  本发明揭示了对于其特征为不需要的钙通道活性，特别是不需要的N型钙通道活性的状况，有效改善的方法和化合物。具体而言，本发明揭示了一系列二芳基哌啶化合物，其通式为（I），其中X为连接剂，Y可以是C、O、S或N。
• WO2008/31227
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS<br/>[FR] COMPOSÉS DE DIARYLE PIPERIDINE UTILISÉS EN TANT QUE BLOQUEURS DE CANAUX CALCIQUES
  申请人：NEUROMED PHARMACEUTICALS LTD

  公开号：WO2008031227A1

  公开（公告）日：2008-03-20

  [EN] Methods and compounds effective in ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted N-type calcium channel activity are disclosed. Specifically, a series of diaryl piperidine compounds are disclosed of the general formula (I) where X is a linker and Y may be C, O, S or N.
  [FR] La présente invention concerne des procédés et des composés efficaces dans l'amélioration de pathologies caractérisées par une activité indésirable du canal calcique, en particulier par une activité indésirable du canal calcique de type N. L'invention concerne en particulier une série de composés de diaryle pipéridine de formule générale (I) dans laquelle X représente un lieur et dans laquelle Y peut désigner C, O, S ou N.
• Structure–activity relationships of diphenylpiperazine N-type calcium channel inhibitors
  作者：Hassan Pajouhesh、Zhong-Ping Feng、Yanbing Ding、Lingyun Zhang、Hossein Pajouhesh、Jerrie-Lynn Morrison、Francesco Belardetti、Elizabeth Tringham、Eric Simonson、Todd W. Vanderah、Frank Porreca、Gerald W. Zamponi、Lester A. Mitscher、Terrance P. Snutch

  DOI：10.1016/j.bmcl.2010.01.008

  日期：2010.2

  A novel series of compounds derived from the previously reported N-type calcium channel blocker NP118809 (1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one) is described. Extensive SAR studies resulted in compounds with IC50 values in the range of 10-150 nM and selectivity over the L-type channels up to nearly 1200-fold. Orally administered compounds 5 and 21 exhibited both anti-allodynic and anti-hyperalgesic activity in the spinal nerve ligation model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.