1-[4-[(4-Methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one | 661453-41-4

• 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: 1-[4-[(4-Methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
• CAS: 661453-41-4
• 化学式: C₃₃H₃₄N₂O
• 分子量: 474.646
• InChiKey: PVJNWPXQHNFPOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,3-二苯基丙酸 、 [(4-甲基苯基)苯基甲基]哌嗪 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成 1-[4-[(4-Methylphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
  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

• Calcium channel blockers comprising two benzhydril moieties
  申请人：——

  公开号：US20040259866A1

  公开（公告）日：2004-12-23

  Certain piperazine substituted compounds are described which are useful in altering calcium channel activity.

  描述了一些对哌嗪取代化合物，这些化合物对改变钙通道活性有用。
• CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES
  申请人：Neuromed Technologies, Inc.

  公开号：EP1610792B1

  公开（公告）日：2007-10-10
• [EN] PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS<br/>[FR] BLOQUEURS DE CANAUX SODIQUES ET CALCIQUES CHARGÉS DE MANIÈRE PERMANENTE COMME AGENTS ANTI-INFLAMMATOIRES
  申请人：HARVARD COLLEGE

  公开号：WO2011006073A1

  公开（公告）日：2011-01-13

  The invention provides compounds, compositions, methods, and kits for the treatment of neurogenic inflammation.