4-[(2,4-dichloro-phenyl)-phenyl-methyl]-piperazine-1-carboxylic acid benzhydryl-amide | 878162-08-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(2,4-dichloro-phenyl)-phenyl-methyl]-piperazine-1-carboxylic acid benzhydryl-amide
• 英文别名: N-benzhydryl-4-[(2,4-dichlorophenyl)-phenylmethyl]piperazine-1-carboxamide
• CAS: 878162-08-4
• 化学式: C₃₁H₂₉Cl₂N₃O
• 分子量: 530.497
• InChiKey: DZQFEEZEXZOLKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine 、 异氰酸二苯甲酯 生成 4-[(2,4-dichloro-phenyl)-phenyl-methyl]-piperazine-1-carboxylic acid benzhydryl-amide
  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

• Urea derivatives as calcium channel blockers
  申请人：Pajouhesh Hassan

  公开号：US20060063775A1

  公开（公告）日：2006-03-23

  Urea derivatives which comprise piperidine or piperazine rings and further substitution are effective in ameliorating conditions characterized by unwanted calcium ion channel activity.

  含有哌啶或哌嗪环及其进一步取代的尿素衍生物，在改善由不良钙离子通道活性所表征的状况方面效果显著。
• UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS
  申请人：Pajouhesh Hassan

  公开号：US20080207633A1

  公开（公告）日：2008-08-28

  Urea derivatives which comprise piperidine or piperazine rings and further substitution are effective in ameliorating conditions characterized by unwanted calcium ion channel activity.

  含有哌啶或哌嗪环且进一步置换的尿素衍生物对于改善由于不必要的钙离子通道活性所表现出的情况是有效的。
• EP1784401A4
  申请人：——

  公开号：EP1784401A4

  公开（公告）日：2009-07-15
• US7378420B2
  申请人：——

  公开号：US7378420B2

  公开（公告）日：2008-05-27
• US7649092B2
  申请人：——

  公开号：US7649092B2

  公开（公告）日：2010-01-19