(4-(7-chloroquinolin-4-yl)piperazin-1-yl)(p-tolyl)methanone | 337328-42-4

• 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: (4-(7-chloroquinolin-4-yl)piperazin-1-yl)(p-tolyl)methanone
• 英文别名: [4-(7-Chloroquinolin-4-yl)piperazin-1-yl]-(4-methylphenyl)methanone
• CAS: 337328-42-4
• 化学式: C₂₁H₂₀ClN₃O
• mdl: MFCD01524933
• 分子量: 365.862
• InChiKey: IVPQIEXWKCCKFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  36.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,7-二氯喹啉 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 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 (4-(7-chloroquinolin-4-yl)piperazin-1-yl)(p-tolyl)methanone
  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

• [EN] QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES<br/>[FR] QUINOLÉINES ET LEUR UTILISATION POUR TRAITER LES MALADIES DUES AU STRESS DU RÉTICULUM ENDOPLASMIQUE
  申请人：CELLADON CORP

  公开号：WO2016032569A1

  公开（公告）日：2016-03-03

  Provided herein are quinolines, e.g., a compound of Formula (I) or (IB), pharmaceutical compositions thereof, and methods of their use for treating, preventing, or ameliorating one or more symptoms of an endoplasmic reticulum stress-caused disease. Also provided herein are methods of their use for reducing endoplasmic reticulum stress and modulating the activity of a sarcoplasmic/endoplasmic reticulum Ca2+ ATPase.

  本文提供了喹啉类化合物，例如，化合物的化学式为（I）或（IB），以及其药物组合物，并用于治疗、预防或改善内质网应激引起的一种或多种疾病症状的方法。本文还提供了用于减少内质网应激并调节肌浆/内质网Ca2+ ATP酶活性的方法。
• QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES
  申请人：EIGER BIOPHARMACEUTICALS, INC.

  公开号：US20170281611A1

  公开（公告）日：2017-10-05

  Provided herein are quinolines, e.g., a compound of Formula (I) or (IB), pharmaceutical compositions thereof, and methods of their use for treating, preventing, or ameliorating one or more symptoms of an endoplasmic reticulum stress-caused disease. Also provided herein are methods of their use for reducing endoplasmic reticulum stress and modulating the activity of a sarcoplasmic/endoplasmic reticulum Ca 2+ ATPase.