10(3-[1,4]biperidinyl-1'-yl-2-hydroxypropyl)-9-oxo-9,10-dihydroacridine-4-carbonylic aicd | 1167990-24-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 10(3-[1,4]biperidinyl-1'-yl-2-hydroxypropyl)-9-oxo-9,10-dihydroacridine-4-carbonylic aicd
• 英文别名: 10-[2-Hydroxy-3-[4-(1-piperidyl)-1-piperidyl]propyl]-9-oxo-acridine-4-carboxylic acid；10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-9-oxoacridine-4-carboxylic acid
• CAS: 1167990-24-0
• 化学式: C₂₇H₃₃N₃O₄
• 分子量: 463.577
• InChiKey: YFDHDKZCIFTZOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  84.3
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-哌啶基哌啶 、 4-羧基-9-茚酮 反应 0.12h， 生成 10(3-[1,4]biperidinyl-1'-yl-2-hydroxypropyl)-9-oxo-9,10-dihydroacridine-4-carbonylic aicd
  参考文献：
  名称：

  Targeting efflux pumps—In vitro investigations with acridone derivatives and identification of a lead molecule for MDR modulation

  摘要：

  To search multi drug resistance modulators, acridones carrying hydroxyl amine substituent at N-10 and COOH/Cl at C-4 were investigated for their interactions with the three components of efflux pump viz. P-gp, ATP, and Mg2+. Experimental and theoretical results indicated that the compounds with COOH group at C-4 interact with P-gp and Mg2+ while other set of compounds with Cl at C-4 interact with ATP and Mg2+. Spot assay and R6G influx/efflux assay of compound 3 using Candida albicans showed decrease in the fungal growth and efflux of R6G, respectively, in presence of compound 3 suggesting the suitability of this compound for MDR modulation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.05.003

文献信息

• Targeting efflux pumps—In vitro investigations with acridone derivatives and identification of a lead molecule for MDR modulation
  作者：Palwinder Singh、Jatinder Kaur、Bhawna Yadav、Sneha Sudha Komath

  DOI：10.1016/j.bmc.2010.05.003

  日期：2010.6.15

  To search multi drug resistance modulators, acridones carrying hydroxyl amine substituent at N-10 and COOH/Cl at C-4 were investigated for their interactions with the three components of efflux pump viz. P-gp, ATP, and Mg2+. Experimental and theoretical results indicated that the compounds with COOH group at C-4 interact with P-gp and Mg2+ while other set of compounds with Cl at C-4 interact with ATP and Mg2+. Spot assay and R6G influx/efflux assay of compound 3 using Candida albicans showed decrease in the fungal growth and efflux of R6G, respectively, in presence of compound 3 suggesting the suitability of this compound for MDR modulation. (C) 2010 Elsevier Ltd. All rights reserved.