2-甲基苯并恶唑-5-磺酸 | 6764-43-8

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 2-甲基苯并恶唑-5-磺酸
• 英文名称: 2-Methyl-5-sulfobenzoxazol
• 英文别名: 2-methylbenzoxazole-5-sulfonic acid；5-Benzoxazolesulfonic acid, 2-methyl-；2-methyl-1,3-benzoxazole-5-sulfonic acid
• CAS: 6764-43-8
• 化学式: C₈H₇NO₄S
• 分子量: 213.214
• InChiKey: GXGKTKGTVRUVMR-UHFFFAOYSA-N

物化性质

• 熔点：
  164-165 °C
• 密度：
  1.538±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

文献信息

• Reagents and procedures for high-specificity labeling
  申请人：Rutgers, The State University of New Jersey

  公开号：US20040019104A1

  公开（公告）日：2004-01-29

  A molecule with two pendant phenylarsine moieties according to the general structural Formula (I) and tautomers, acids, and salts thereof: 1 wherein: (i) R 1 or R 2 , are each independently O − , S − , OR 3 or SR 3 with the provision that if either R 1 or R 2 is absent, the other remaining group is ═O or ═S; or R 1 and R 2 , together with the arsenic atom, form a ring according to one of the general structural Formulae (II), (III), (IV), or (V): 2 wherein R 3 is H, CH(OH)CH 2 OH, or (CH 2 ) q —Y, with q being 1-4 and Y being H, OH, NH 2 , SH, COOH, OAc, CONH 2 or CN, and Z represents a hydrocarbon chain comprising 2-4 singly or doubly bonded carbon atoms each of which may be further substituted with one or more of hydrogen, methyl, ethyl, 1-propyl, 2-propyl, methoxy, hydroxy, amino, carboxy, sulfo, oxo, thio, halo (fluoro, chloro, bromo, or fluoro) and (CH 2 ) n″ SO 3 , wherein n″ is 1 or 2; (ii) R 4 , R 5 , R 6 and R 7 are each independently H, F, OR 3 , R 3 , OAc, NH 2 , N(C 1 -C 4 alkyl) 2 , R 1 ; or R 4 with R 5 , or R 6 together with R 7 , or both, form a ring; (iii) R 8 is a linear or branched optionally substituted spacer having a minimum length of approximately 1.5 and a maximum length of approximately 15 Ångstroms; and (iv) X is a detectable group. Methods of using the bis-phenylarsine molecule also are provided.

  根据通用结构式（I）及其互变异构体、酸和盐，具有两个挂链苯基砷基的分子： 其中：（i）R1或R2分别独立为O−、S−、OR3或SR3，但须注意如果R1或R2中有一个不存在，则另一个剩余基团为═O或═S；或者R1和R2与砷原子一起形成一个环，符合通用结构式（II）、（III）、（IV）或（V）之一： 其中R3为H、CH(OH)CH2OH或(CH2)q—Y，其中q为1-4，Y为H、OH、NH2、SH、COOH、OAc、CONH2或CN，Z代表一个含有2-4个单键或双键碳原子的碳氢链，每个碳原子可以进一步被氢、甲基、乙基、1-丙基、2-丙基、甲氧基、羟基、氨基、羧基、磺酰基、羰基、硫基、卤素（氟、氯、溴或氟）和(CH2)n″SO3等取代，其中n″为1或2；（ii）R4、R5、R6和R7各自独立为H、F、OR3、R3、OAc、NH2、N(C1-C4烷基)2或R1；或者R4与R5，或R6与R7，或两者一起形成一个环；（iii）R8为线性或支链的可选取代的间隔物，其最小长度约为1.5，最大长度约为15埃；（iv）X为可检测的基团。还提供了使用双苯基砷分子的方法。
• Reagents and procedures for multi-label high-specificity labeling
  申请人：Ebright H. Richard

  公开号：US20060141530A1

  公开（公告）日：2006-06-29

  A detectable complex and methods for use thereof are provided herein. The detectable complex includes: at least one target material; a first peptide tag bound to the at least one target material; and a second peptide tag bound to the at least one target material. The complex further includes a first conjugate having a detectable group and two pendant phenylarsine moieties comprising a first tag binding group; wherein the first conjugate preferentially associates with the first peptide tag; and a second conjugate having a detectable group and two pendant phenylarsine moieties comprising a second tag binding group; wherein the second conjugate preferentially associates with the second peptide tag. The mean distance and/or mean angle between the pendant phenylarsine moieties in the first conjugate is different from the mean distance and/or mean angle between the pendant phenylarsine moieties in the second conjugate. Further provided herein are useful peptide tag combinations, target materials or sets of target materials including these peptide tag combinations, and nucleic acids or nucleic acid sets encoding these compositions.

  本文提供了一种可检测的复合物及其使用方法。该可检测的复合物包括：至少一种靶材料；与至少一种靶材料结合的第一肽标签；以及与至少一种靶材料结合的第二肽标签。该复合物还包括一个具有可检测基团和两个悬挂苯胂基的第一共轭物，其中包括第一标签结合基团；其中第一共轭物优先与第一肽标签结合；以及一个具有可检测基团和两个悬挂苯胂基的第二共轭物，其中包括第二标签结合基团；其中第二共轭物优先与第二肽标签结合。第一共轭物中悬挂苯胂基之间的平均距离和/或平均角度与第二共轭物中悬挂苯胂基之间的平均距离和/或平均角度不同。此外，本文还提供了有用的肽标签组合、靶材料或包含这些肽标签组合的靶材料集合，以及编码这些组合的核酸或核酸集合。
• Ultra-high specificity fluorescent labeling
  申请人：Ebright H. Richard

  公开号：US20060141531A1

  公开（公告）日：2006-06-29

  A self-assembled relay probe for detecting a target material is provided including: a first peptide tag bound to the target material; and a first fluorescent conjugate including a first fluorochrome and a first tag binding group; wherein the first fluorescent conjugate selectively associates with the first tag. The probe further includes a second peptide tag bound to the target material; and a second fluorescent conjugate including a second fluorochrome having a longer wavelength and distinct excitation and emission maxima from the first fluorochrome and a second tag binding group. Upon exposure to the target material, the first and second fluorescent conjugates independently associate with the first and second peptide tags, respectively, so as to be a distance apart represented by about 0.1 times R 0 to about 2 times R 0 , such that upon excitation of the first fluorescent conjugate, fluorescence resonance energy transfer results in excitation of the second fluorescent conjugate, yielding detectable emission from the second fluorescent conjugate.

  提供了一种用于检测目标物质的自组装继电探针，包括：与目标物质结合的第一肽标签；以及包括第一荧光染料和第一标签结合基团的第一荧光共轭物；其中第一荧光共轭物选择性地与第一标签结合。探针还包括与目标物质结合的第二肽标签；以及包括具有比第一荧光染料波长长且激发和发射极值不同的第二荧光染料和第二标签结合基团的第二荧光共轭物。在暴露于目标物质时，第一和第二荧光共轭物分别与第一和第二肽标签独立结合，使得它们之间的距离大约为0.1倍R0到2倍R0，因此，在激发第一荧光共轭物时，荧光共振能量转移导致第二荧光共轭物被激发，从而产生第二荧光共轭物的可检测发射。
• NUCLEIC ACID DETECTIONS AND METHODS OF THEIR USE
  申请人：Ying Laiqiang

  公开号：US20130137875A1

  公开（公告）日：2013-05-30

  The invention describes the preparation and use of fluorescent stains for nucleic acids derived from unsymmetrical cyanine dyes, dimmers, trimers, or tetramers. In particular, the invention describes unsymmetric cyanine dyes, dimmers, trimer and tetramers having a water soluble substituent. The dyes of the invention possess superior fluorescent properties when complexed with nucleic acids, and have utility in any application which requires detection of nucleic acids, such as detection of nucleic acids in solution, in gels, in blots, in microarrays, and in bacteria and cells, and for use in analysis of cell structure, membrane integrity, and function. The presence of the water soluble substituent results in improved water soluability and stability, resulting in improved detection of nucleic acids.

  该发明描述了从非对称青霉素染料、二聚体、三聚体或四聚体衍生的核酸荧光染料的制备和使用。具体而言，该发明描述了具有水溶性取代基的非对称青霉素染料、二聚体、三聚体和四聚体。该发明的染料在与核酸结合时具有优越的荧光特性，并可在任何需要检测核酸的应用中使用，例如在溶液中、凝胶中、斑点中、微阵列中、细菌和细胞中检测核酸，并用于细胞结构、膜完整性和功能的分析。水溶性取代基的存在导致改善了水溶性和稳定性，从而提高了对核酸的检测。
• Bis-transition-metal-chelate probes
  申请人：Rutgers, The State University of New Jersey

  公开号：US20040096887A1

  公开（公告）日：2004-05-20

  A molecule for labeling a target material is provided including two transition-metal chelates and a detectable group. The molecule has the general structural formula (I): 1 wherein: (a) Y and Y′ are each a transition metal, (b) R 1 and R 1′ are each independently CH(COO − ), CH(COOH), or absent; (c) R 2 and R 2′ are linkers each having a length of from about 3.0 to about 20 Å; and (d) X is a detectable group. The linkers may be linear or branched, may contain aromatic moieties, and may optionally be further substituted. Methods of using the molecules of the invention as probes in detecting and analyzing target materials as well as kits including the molecule of the invention are also provided.

  提供了一种用于标记目标材料的分子，包括两个过渡金属螯合物和一个可检测基团。分子的结构通式为(I)： 1 其中(a) Y 和 Y′各自是过渡金属， (b) R 1 和 R 1′ 各自独立地为 CH(COO - )、CH(COOH)或不存在； (c) R 2 和 R 2′ 均为链节，其长度从约 3.0 到约 20 盎司；以及 (d) X 为可检测基团。连接体可以是线性的或支链的，可以含有芳香族分子，也可以任选地被进一步取代。还提供了使用本发明分子作为探针检测和分析目标材料的方法以及包括本发明分子的试剂盒。