5-[4-(dimethylamino)phenyl]-2-phenyl-1,3-oxazole | 109811-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[4-(dimethylamino)phenyl]-2-phenyl-1,3-oxazole
• 英文别名: dapoxyl；N,N-dimethyl-4-(2-phenyl-oxazol-5-yl)-aniline；N,N-Dimethyl-4-(2-phenyl-oxazol-5-yl)-anilin；5-(4-Dimethylamino-phenyl)-2-phenyloxazole；N,N-dimethyl-4-(2-phenyl-1,3-oxazol-5-yl)aniline
• CAS: 109811-90-7
• 化学式: C₁₇H₁₆N₂O
• 分子量: 264.327
• InChiKey: NHUJWUWEDIAGEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-[4-(dimethylamino)phenyl]-2-phenyl-1,3-oxazole 在 sodium carbonate 、 三氯氧磷 作用下， 反应 5.0h， 生成 5-(3-dimethylaminomethyl-4-methylaminophenyl)-2-phenyl-1,3-oxazole-4-carbaldehyde
  参考文献：
  名称：

  在Vilsmeier-Haack条件下，二甲基氨基取代的2,5-二芳基恶唑和2,5-二芳基-1,3,4-恶二唑的行为

  摘要：

  DOI：

  10.1023/a:1024777700217
• 作为产物：
  描述：

  苯甲酰氯 在 磷酸 、 乙酸酐 作用下， 生成 5-[4-(dimethylamino)phenyl]-2-phenyl-1,3-oxazole
  参考文献：
  名称：

  Liquid Scintillators. VIII. The Effect of the Dialkylamino Group¹

  摘要：

  DOI：

  10.1021/jo01094a007

文献信息

• HIGH THROUGHPUT METHOD FOR FUNCTIONALLY CLASSIFYING PROTEINS IDENTIFIED USING A GENOMICS APPROACH
  申请人：——

  公开号：US20010003648A1

  公开（公告）日：2001-06-14

  The present invention provides a method for functionally classifying a protein that is capable of unfolding due to a thermal change. The method comprises screening one or more of a multiplicity of different molecules for their ability to shift the thermal unfolding curve of the protein, wherein a shift in the thermal unfolding curve indicates that the molecule binds to the protein or affects the stability in a measurable way; generating an activity spectrum for the protein wherein the activity spectrum reflects a set of molecules, from the multiplicity of molecules, that shift the thermal unfolding curve, of the protein and therefore are ligands that bind to the protein, comparing the activity spectrum for the protein to one or more functional reference spectrum lists; and classifying the protein according to the set of molecules in the multiplicity of different molecules that shift the thermal unfolding curve of the protein.

  本发明提供了一种用于功能分类能够由于热变化而展开的蛋白质的方法。该方法包括筛选多种不同分子中的一种或多种，以确定它们改变蛋白质的热展开曲线的能力，其中热展开曲线的变化表示该分子结合到蛋白质上或以可测量的方式影响其稳定性；生成蛋白质的活性谱，其中活性谱反映了多种分子中的一组分子，这些分子改变了蛋白质的热展开曲线，因此它们是结合到蛋白质上的配体；将蛋白质的活性谱与一个或多个功能参考谱列表进行比较；并根据多种不同分子中改变蛋白质的热展开曲线的分子组合将蛋白质进行分类。
• High throughput method for functionally classifying proteins identified using a genomics approach
  申请人：——

  公开号：US20020168686A1

  公开（公告）日：2002-11-14

  The present invention provides a method for functionally classifying a protein that is capable of unfolding due to a thermal change. The method comprises screening one or more of a multiplicity of different molecules for their ability to shift the thermal unfolding curve of the protein, wherein a shift in the thermal unfolding curve indicates that the molecule binds to the protein or affects the stability in a measurable way; generating an activity spectrum for the protein wherein the activity spectrum reflects a set of molecules, from the multiplicity of molecules, that shift the thermal unfolding curve, of the protein and therefore are ligands that bind to the protein, comparing the activity spectrum for the protein to one or more functional reference spectrum lists; and classifying the protein according to the set of molecules in the multiplicity of different molecules that shift the thermal unfolding curve of the protein.

  本发明提供了一种功能分类能够由于热变化而发生展开的蛋白质的方法。该方法包括筛选一种或多种不同分子的多重组合，以检测它们移动蛋白质的热展开曲线的能力，其中热展开曲线的移动表示该分子结合到蛋白质或以可测量的方式影响其稳定性；生成蛋白质的活性谱，其中活性谱反映了从多重分子中移动蛋白质的热展开曲线的分子集，因此是结合到蛋白质的配体；将蛋白质的活性谱与一个或多个功能参考谱列表进行比较；并根据多种不同分子的集合将蛋白质进行分类，这些分子移动蛋白质的热展开曲线。
• Methods for dye selection for protein melt temperature determinations
  申请人：LIFE TECHNOLOGIES CORPORATION

  公开号：US10024863B2

  公开（公告）日：2018-07-17

  According to the present teachings, compositions, kits, and methods for protein melt analysis are provided that utilizing one or more fluorophore dyes. In some embodiments, a method comprises preparing a sample by mixing at least one protein with two or more dyes, and applying a controlled heating, while recording the fluorescence emission of the sample. The methods can be used, for example, for screening conditions for optimized protein stability, screening for ligands that bind and enhance protein stability (e.g., protein-protein interactions), screening for mutations for enhanced stability, screening crystallization conditions for protein stability, screening storage conditions for protein stability, and screening conditions in which a protein will be used (e.g., production conditions, treatment conditions, etc.) for protein stability.

  根据本教导，提供了利用一种或多种荧光团染料进行蛋白质熔体分析的组合物、试剂盒和方法。在某些实施方案中，方法包括通过将至少一种蛋白质与两种或两种以上染料混合来制备样品，并进行受控加热，同时记录样品的荧光发射。这些方法可用于筛选优化蛋白质稳定性的条件、筛选结合并提高蛋白质稳定性的配体（如蛋白质-蛋白质相互作用）、筛选提高稳定性的突变、筛选提高蛋白质稳定性的结晶条件、筛选提高蛋白质稳定性的储存条件，以及筛选提高蛋白质稳定性的蛋白质使用条件（如生产条件、处理条件等）。
• Microplate thermal shift assay for ligand development using 5- (4"-dimethylaminophenyl) -2- (4' -phenyl) oxazole derivative fluorescent dyes
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20030175813A1

  公开（公告）日：2003-09-18

  The present invention provides a method for ranking the affinity of each of a multiplicity of different molecules for a target molecule which is capable of unfolding due to a thermal change. The method comprises (a) contacting the target molecule with one molecule of a multiplicity of different molecules, in the presence of a 5-(4″-dimethylaminophenyl)-2-(4′-phenyl)oxazole derivative dye, in each of a multiplicity of containers; (b) simultaneously heating the multiplicity of containers; (c) measuring the fluorescence in each of the containers; (d) generating thermal unfolding information for the target molecule as a function of temperature for each of the containers; (e) comparing the thermal unfolding information obtained for each of the containers to the thermal unfolding information for the target molecule in the absence of any of the molecules in the multiplicity of different molecules; and (f) ranking the affinities of each of the molecules according to the difference in the thermal unfolding information between the target molecule in each of the containers and the target molecule in the absence of any of the molecules in the multiplicity of different molecules.

  本发明提供了一种方法，用于排列多种不同分子中每种分子对目标分子的亲和力，该目标分子由于热变化而能够展开。该方法包括(a)在5-(4″-二甲氨基苯基)-2-(4′-苯基)噁唑衍生物染料存在下，将目标分子与多种不同分子中的一个分子在多种容器中的每一个中接触；(b)同时加热多种容器；(c)测量每一个容器中的荧光；(d)生成目标分子的热折叠信息，作为每一个容器的温度函数；(e) 将为每个容器获得的热折叠信息与目标分子在多个不同分子中没有任何分子存在的情况下的热折叠信息进行比较；以及 (f) 根据目标分子在每个容器中的热折叠信息与目标分子在多个不同分子中没有任何分子存在的情况下的热折叠信息之间的差异，对每个分子的亲和性进行排序。
• Chemical synthesis using diffraction grating-based encoded optical elements
  申请人：——

  公开号：US20040130761A1

  公开（公告）日：2004-07-08

  An assay stick 7 includes a transparent reaction vessel or tube 14 having one or more microbeads 8 disposed therein. The microbeads 8 have a plurality of unique identification digital codes based on a diffraction grating 12 disposed therein that are detected when illuminated by incident light 24. The incident light 24 may be directed transversely onto the side or onto an end of the tube 14 with a narrow band (single wavelength) or multiple wavelength source, in which case the code is represented by a spatial distribution of light or a wavelength spectrum, respectively. The assay stick 7 may be reused or disposed upon completion of the assay.

  检测棒 7 包括一个透明的反应容器或试管 14 有一个或多个微珠 8 8。微珠 8 具有多个基于衍射光栅的唯一识别数字代码 12 当入射光线照射时，可检测到这些数字代码。 24. 入射光 24 可横向照射到管子 14 的侧面或端部 14 在这种情况下，代码分别由光的空间分布或波长光谱表示。检测棒 7 可重复使用，也可在检测完成后丢弃。