1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine | 353770-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
• 英文别名: (4-chlorophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
• CAS: 353770-51-1
• 化学式: C₁₇H₁₆Cl₂N₂O
• mdl: MFCD01257160
• 分子量: 335.233
• InChiKey: HWFCPNSTXRKPPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• 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：

  对氯苯甲酸 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， 以 二氯甲烷 为溶剂， 生成 1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
  参考文献：
  名称：

  Piperazinyl quinolines as chemosensitizers to increase fluconazole susceptibility of Candida albicans clinical isolates

  摘要：

  The effectiveness of the potent antifungal drug fluconazole is being compromised by the rise of drug-resistant fungal pathogens. While inhibition of Hsp90 or calcineurin can reverse drug resistance in Candida, such inhibitors also impair the homologous human host protein and fungal-selective chemosensitizers remain rare. The MLPCN library was screened to identify compounds that selectively reverse fluconazole resistance in a Candida albicans clinical isolate, while having no antifungal activity when administered as a single agent. A piperazinyl quinoline was identified as a new small-molecule probe (ML189) satisfying these criteria. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.105

文献信息

• Ligands of the mu, kappa, and delta opioid receptors
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US11213518B2

  公开（公告）日：2022-01-04

  Ligands of the mu, kappa, and delta opioid receptors and methods of using them are disclosed. In particular, the invention relates to the discovery of new opioid receptor ligands based on molecular dynamics simulations of conformational states of the μ opioid receptor and the use of the identified opioid receptor ligands as analgesics, anti-diarrheal agents, and overdose reversal agents.

  本发明公开了μ、卡帕和δ阿片受体的配体及其使用方法。特别是，本发明涉及基于对μ阿片受体构象状态的分子动力学模拟发现新的阿片受体配体，以及将所发现的阿片受体配体用作镇痛剂、止泻剂和过量逆转剂。
• Piperazinyl quinolines as chemosensitizers to increase fluconazole susceptibility of Candida albicans clinical isolates
  作者：Willmen Youngsaye、Benjamin Vincent、Cathy L. Hartland、Barbara J. Morgan、Sara J. Buhrlage、Stephen Johnston、Joshua A. Bittker、Lawrence MacPherson、Sivaraman Dandapani、Michelle Palmer、Luke Whitesell、Susan Lindquist、Stuart L. Schreiber、Benito Munoz

  DOI：10.1016/j.bmcl.2011.06.105

  日期：2011.9

  The effectiveness of the potent antifungal drug fluconazole is being compromised by the rise of drug-resistant fungal pathogens. While inhibition of Hsp90 or calcineurin can reverse drug resistance in Candida, such inhibitors also impair the homologous human host protein and fungal-selective chemosensitizers remain rare. The MLPCN library was screened to identify compounds that selectively reverse fluconazole resistance in a Candida albicans clinical isolate, while having no antifungal activity when administered as a single agent. A piperazinyl quinoline was identified as a new small-molecule probe (ML189) satisfying these criteria. (C) 2011 Elsevier Ltd. All rights reserved.