2-[4-(4-Methylphenoxy)butyl]isoindole-1,3-dione | 143340-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[4-(4-Methylphenoxy)butyl]isoindole-1,3-dione
• CAS: 143340-74-3
• 化学式: C₁₉H₁₉NO₃
• 分子量: 309.365
• InChiKey: MWFFWWVEAWVBPK-UHFFFAOYSA-N

物化性质

• 沸点：
  474.3±28.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[4-(4-Methylphenoxy)butyl]isoindole-1,3-dione 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 生成 N-[4-(4-bromomethylphenoxy)butyl]phthalimide
  参考文献：
  名称：

  Folate-Synthesizing Enzyme System as Target for Development of Inhibitors and Inhibitor Combinations against Candida albicansSynthesis and Biological Activity of New 2,4-Diaminopyrimidines and 4‘-Substituted 4-Aminodiphenyl Sulfones

  摘要：

  The paper describes the design, synthesis, and testing of inhibitors of folate-synthesizing enzymes and of whole cell cultures of Candida albicans. The target enzymes used were dihydropteroic acid synthase (SYN) and dihydrofolate reductase (DHFR). Several series of new 2,4-diaminopyrimidines were synthesized and tested as inhibitors of DHFR and compared with their activity against DHFR derived from mycobacteria and Escherichia coli. To test for selectivity, also rat DHFR was used. A series of substituted 4-aminodiphenyl sulfones was tested for inhibitory activity against SYN and the I-50 values compared to those obtained previously against Plasmodium berghei- and E. coli-derived SYN. Surprisingly, QSAR equations show very similar structural dependencies. To find an explanation for the large difference in the I-50 values observed for enzyme inhibition (SYN, DHFR) and for inhibition of cell cultures of Candida, mutant strains with overexpressed efflux pumps and strains in which such pumps are deleted were included in the study and the MICs compared. Efflux pumps were responsible for the low activity of some of the tested derivatives, others showed no increase in activity after pumps were knocked out. In this case it may be speculated that these derivatives are not able to enter the cells.

  DOI：

  10.1021/jm030931w
• 作为产物：
  描述：

  对甲酚 、 N-(4-溴丁基)邻苯二甲酰亚胺 在 sodium hydride 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 2-[4-(4-Methylphenoxy)butyl]isoindole-1,3-dione
  参考文献：
  名称：

  Folate-Synthesizing Enzyme System as Target for Development of Inhibitors and Inhibitor Combinations against Candida albicansSynthesis and Biological Activity of New 2,4-Diaminopyrimidines and 4‘-Substituted 4-Aminodiphenyl Sulfones

  摘要：

  The paper describes the design, synthesis, and testing of inhibitors of folate-synthesizing enzymes and of whole cell cultures of Candida albicans. The target enzymes used were dihydropteroic acid synthase (SYN) and dihydrofolate reductase (DHFR). Several series of new 2,4-diaminopyrimidines were synthesized and tested as inhibitors of DHFR and compared with their activity against DHFR derived from mycobacteria and Escherichia coli. To test for selectivity, also rat DHFR was used. A series of substituted 4-aminodiphenyl sulfones was tested for inhibitory activity against SYN and the I-50 values compared to those obtained previously against Plasmodium berghei- and E. coli-derived SYN. Surprisingly, QSAR equations show very similar structural dependencies. To find an explanation for the large difference in the I-50 values observed for enzyme inhibition (SYN, DHFR) and for inhibition of cell cultures of Candida, mutant strains with overexpressed efflux pumps and strains in which such pumps are deleted were included in the study and the MICs compared. Efflux pumps were responsible for the low activity of some of the tested derivatives, others showed no increase in activity after pumps were knocked out. In this case it may be speculated that these derivatives are not able to enter the cells.

  DOI：

  10.1021/jm030931w

文献信息

• Novel Reagents for Directed Biomarker Signal Amplification
  申请人：Gaylord Brent S.

  公开号：US20110257374A1

  公开（公告）日：2011-10-20

  Described herein are methods, compositions and articles of manufacture involving neutral conjugated polymers including methods for synthesis of neutral conjugated water-soluble polymers with linkers along the polymer main chain structure and terminal end capping units. Such polymers may serve in the fabrication of novel optoelectronic devices and in the development of highly efficient biosensors. The invention further relates to the application of these polymers in assay methods.

  本文描述了涉及中性共轭聚合物的方法、组合物和制造品，包括合成带有连接物的中性共轭水溶性聚合物的方法，以及端基封闭单元。这些聚合物可用于制造新型光电器件，以及开发高效的生物传感器。本发明进一步涉及这些聚合物在测定方法中的应用。
• Reagents for directed biomarker signal amplification
  申请人：SIRIGEN II LIMITED

  公开号：US10481161B2

  公开（公告）日：2019-11-19

  Described herein are methods, compositions and articles of manufacture involving neutral conjugated polymers including methods for synthesis of neutral conjugated water-soluble polymers with linkers along the polymer main chain structure and terminal end capping units. Such polymers may serve in the fabrication of novel optoelectronic devices and in the development of highly efficient biosensors. The invention further relates to the application of these polymers in assay methods.

  本文描述的是涉及中性共轭聚合物的方法、组合物和制造品，包括合成中性共轭水溶性聚合物的方法，该聚合物沿聚合物主链结构具有连接体和末端封端单元。这种聚合物可用于制造新型光电器件和开发高效生物传感器。本发明还涉及这些聚合物在检测方法中的应用。
• PHOTOSTABLE FLUORESCENT POLYMERIC TANDEM DYES INCLUDING LUMINESCENT METAL COMPLEXES
  申请人：Becton, Dickinson and Company

  公开号：US20170174892A1

  公开（公告）日：2017-06-22

  Photostable polymeric tandem dyes are provided. The photostable polymeric tandem dyes include a water soluble light harvesting multichromophore and a luminescent metal complex covalently linked to the multichromophore and in energy-receiving proximity therewith. Also provided are labelled specific binding members that include the subject dyes. Methods of evaluating a sample for the presence of a target analyte and methods of labelling a target molecule in which the subject polymeric tandem dyes find use are also provided. Systems and kits for practicing the subject methods are also provided.
• US8362193B2
  申请人：——

  公开号：US8362193B2

  公开（公告）日：2013-01-29
• US8575303B2
  申请人：——

  公开号：US8575303B2

  公开（公告）日：2013-11-05