1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one | 1131992-67-0

• 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-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
• 英文别名: 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(2-methylpropylamino)butan-1-one
• CAS: 1131992-67-0
• 化学式: C₂₅H₃₄ClN₃O
• 分子量: 428.017
• InChiKey: KXMFWBOCXIMJKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-amino-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one 、 异丁醛 在 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 以43%的产率得到1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
  参考文献：
  名称：

  Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo analgesic activity

  摘要：

  Novel diphenylpiperazine derivatives were synthesized and evaluated for their inhibitory activity against T-type calcium channel by whole-cell patch clamp recordings on HEK293 cells. Among the test compounds, 2 and 3d were effective in decreasing the response to formalin in both the first and second phases and demonstrated antiallodynic effects in a rat model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.082

文献信息

• [EN] NOVEL COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION COMPRISING THE SAME FOR INHIBITING PAIN<br/>[FR] NOUVEAUX COMPOSÉS, PROCÉDÉ DE PRÉPARATION DE CEUX-CI ET COMPOSITION CONTENANT CEUX-CI DESTINÉE À INHIBER LA DOULEUR
  申请人：UNIV EWHA IND COLLABORATION

  公开号：WO2009035307A2

  公开（公告）日：2009-03-19

  The present invention relates to novel compounds, a process for preparing the same, and a pain relief composition, comprising the same. The compound of the present invention has excellent inhibitory effect on T-type calcium channel activity, and chronic neuropathic and inflammatory pain, thereby being used to relieve pain.
• Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo analgesic activity
  作者：Yoo Lim Kam、Hee-Kyung Rhee、Hyewhon Rhim、Seung Keun Back、Heung Sik Na、Hea-Young Park Choo

  DOI：10.1016/j.bmc.2010.06.082

  日期：2010.8

  Novel diphenylpiperazine derivatives were synthesized and evaluated for their inhibitory activity against T-type calcium channel by whole-cell patch clamp recordings on HEK293 cells. Among the test compounds, 2 and 3d were effective in decreasing the response to formalin in both the first and second phases and demonstrated antiallodynic effects in a rat model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.