2-甲基-1,3-苯并噻唑-3-鎓溴化物 | 874-45-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 2-甲基-1,3-苯并噻唑-3-鎓溴化物
• 中文别名: 3-(3,4-二甲氧苯基)-6-乙氧基[1,2,4]三唑并[3,4-a]酞嗪
• 英文名称: 2-methylbenzothiazolium bromide
• 英文别名: 2-methylbenzothiazole hydrobromide；FRBD36；2-methyl-1,3-benzothiazol-3-ium;bromide
• CAS: 874-45-3
• 化学式: BrH*C₈H₇NS
• 分子量: 230.128
• InChiKey: IWNZVYDXOXGHBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  41.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-甲基-1,3-苯并噻唑-3-鎓溴化物 以 N,N-二甲基乙酰胺 为溶剂， 生成 3-methyl-1,2-dihydro-benzo[4,5]thiazolo[3,2-a]pyridinylium; perchlorate
  参考文献：
  名称：

  Annulation of pyridinium rings onto nitrogen heterocycles

  摘要：

  DOI：

  10.1021/jo00434a028
• 作为产物：
  描述：

  2-甲基苯并噻唑 在 氢溴酸 作用下， 反应 12.0h， 生成 2-甲基-1,3-苯并噻唑-3-鎓溴化物
  参考文献：
  名称：

  Alfimov, Michael V.; Fedorov, Yurii V.; Fedorova, Olga A., Journal of the Chemical Society. Perkin transactions II, 1996, # 7, p. 1441 - 1448

  摘要：

  DOI：
• 作为试剂：
  描述：

  N-methylquinolinium iodide 、 3-(4-carboxybutyl)-2-methylbenzothiazolium bromide 在 2-甲基-1,3-苯并噻唑-3-鎓溴化物 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以28%的产率得到1-methyl-4-[{3-(4-carboxybutyl)-2(3H)-benzothiazolylidene}methyl]quinolinium bromide
  参考文献：
  名称：

  COMPOUND HAVING STRUCTURE DERIVED FROM MONONUCLEOSIDE OR MONONUCLEOTIDE, NUCLEIC ACID, LABELING SUBSTANCE, AND METHOD AND KIT FOR DETECTION OF NUCLEIC ACID

  摘要：

  公开号：

  EP2130835B1

文献信息

• COMPOUND, NUCLEIC ACID, LABELING SUBSTANCE, AND DETECTION METHOD
  申请人：KABUSHIKI KAISHA DNAFORM

  公开号：US20150252070A1

  公开（公告）日：2015-09-10

  The present invention provides a compound represented by the following chemical formula (I); a tautomer or stereoisomer of the compound; or a salt of the compound, the tautomer, or the stereoisomer. In the chemical formula (I), R 1 and R 2 are each a Group 1 element or a protecting group of an amino group and may be identical to or different from each other, or alternatively, R 1 and R 2 together may form a protecting group of an amino group. R 3 is a Group 1 element or a protecting group of a hydroxy group. R 4 is a Group 1 element or —PR 5 R 6 R 7 R 8 (R 5 , R 6 , R 7 , and R 8 are each a Group 1 element, a lone electron pair, a Group 16 element, a Group 17 element, or a protecting group of a phosphorus atom, and may be identical to or different from each other). J is a hydrogen atom or an arbitrary atomic group, A is a hydrogen atom, a hydroxy group, an alkyl group, an aralkyl group, an alkoxy group, an electron-withdrawing group, a silylene group, or a sulfide group, or alternatively, J and A together may form a linker. L is a single bond or a linker (a linking atom or a linking atomic group), the main chain length (the number of main chain atoms) of the linker is arbitrary, L may or may not contain each of C, N, O, S, P, and Si in the main chain, and may or may not contain each of a single bond, a double bond, a triple bond, an amide bond, an ester bond, a disulfide bond, an imino group, an ether bond, a thioether bond, and a thioester bond in the main chain. Z is an atomic group that can form a peptide bond with a labeling compound, or is an atom or atomic group including a label.

  本发明提供了以下化学式（I）所代表的化合物；该化合物的互变异构体或立体异构体；或者该化合物、互变异构体或立体异构体的盐。在化学式（I）中，R1和R2分别是第1族元素或氨基的保护基，它们可以相同也可以不同，或者R1和R2可以一起形成氨基的保护基。R3是第1族元素或羟基的保护基。R4是第1族元素或-PR5R6R7R8（R5、R6、R7和R8分别是第1族元素、孤立电子对、第16族元素、第17族元素或磷原子的保护基，它们可以相同也可以不同）。J是氢原子或任意的原子基团，A是氢原子、羟基、烷基、芳基烷基、烷氧基、吸电子基团、硅烷基团或硫化物基团，或者J和A可以一起形成连接基团。L是单键或连接基团（连接原子或连接原子基团），连接基团的主链长度（主链原子数）是任意的，L可能包含或不包含主链中的C、N、O、S、P和Si，也可能包含或不包含主链中的单键、双键、三键、酰胺键、酯键、二硫键、亚胺基团、醚键、硫醚键和硫酯键。Z是能与标记化合物形成肽键的原子基团，或者是包括标记的原子或原子基团。
• Nucleic acid probe, method for designing nucleic acid probe, and method for detecting target sequence
  申请人：KABUSHIKI KAISHA DNAFORM

  公开号：US09862989B2

  公开（公告）日：2018-01-09

  The present invention provides a nucleic acid probe that can achieve high detection sensitivity and high specificity in mutation detection, mismatch detection, etc. by the PCR method, a method for designing such a nucleic acid probe, and a method for detecting a target sequence. The nucleic acid probe includes a nucleic acid molecule, and the nucleic acid molecule includes a plurality of fluorescent dye moieties that exhibit an excitonic effect. At least two of the fluorescent dye moieties that exhibit an excitonic effect are bound to the same base or two adjacent bases in the nucleic acid molecule with each fluorescent dye moiety being bound via a linker (a linking atom or a linking atomic group). The extension-side end of the nucleic acid molecule is chemically modified, thereby preventing an extension reaction of the nucleic acid molecule.

  本发明提供了一种能够通过PCR方法在突变检测、错配检测等方面实现高检测灵敏度和高特异性的核酸探针，以及设计这种核酸探针的方法和检测目标序列的方法。该核酸探针包括一个核酸分子，该核酸分子包括多个表现出激子效应的荧光染料基团。表现出激子效应的至少两个荧光染料基团与核酸分子中的同一碱基或两个相邻碱基结合，每个荧光染料基团通过连接物（连接原子或连接原子团）结合。核酸分子的延伸端被化学修饰，从而阻止核酸分子的延伸反应。
• Polycationic Monomeric and Homodimeric Asymmetric Monomethine Cyanine Dyes with Hydroxypropyl Functionality—Strong Affinity Nucleic Acids Binders
  作者：Ivana Mikulin、Ivana Ljubić、Ivo Piantanida、Aleksey Vasilev、Mihail Mondeshki、Meglena Kandinska、Lidija Uzelac、Irena Martin-Kleiner、Marijeta Kralj、Lidija-Marija Tumir

  DOI：10.3390/biom11081075

  日期：——

  towards GC-DNA base pairs over AT-DNA, which included both binding affinity and a strong fluorescence response. CD titrations showed aggregation along the polynucleotide with well-defined supramolecular chirality. The single dipyridinium-bridged dimer showed intercalation at low dye-DNA/RNA ratios. All new cyanine dyes showed potent micromolar antiproliferative activity against cancer cell lines, making

  合成了具有羟丙基官能团的商业不对称单次甲基花青染料噻唑橙 (TO) 和噻唑橙同二聚体 (TOTO) 的新类似物，并研究了它们在不同核酸存在下的特性。新化合物对所有检测的 DNA ds-多核苷酸和 poly rA-poly rU 都显示出很强的、微摩尔和亚微摩尔的亲和力。研究的化合物显示出对 GC-DNA 碱基对的选择性超过 AT-DNA，包括结合亲和力和强荧光响应。CD 滴定显示沿多核苷酸聚集，具有明确的超分子手性。单个双吡啶桥二聚体在低染料-DNA/RNA 比率下表现出嵌入。所有新的花青染料都对癌细胞系显示出有效的微摩尔级抗增殖活性，
• Primer, primer set, and nucleic acid amplification method and mutation detection method using the same
  申请人：Hayashizaki Yoshihide

  公开号：US20080227104A1

  公开（公告）日：2008-09-18

  The present invention provides a primer that effectively can detect, for example, the double helix structure of a nucleic acid. The primer is a labeled nucleic acid containing at least one structure represented by the following formula (16), where B is an atomic group having a nucleobase skeleton, E is an atomic group having a deoxyribose skeleton, a ribose skeleton, or a structure derived from either one of them, or an atomic group having a peptide structure or a peptoid structure, and Z 11 and Z 12 are each an atomic group that exhibits fluorescence and are identical to or different from each other.

  本发明提供了一种引物，可以有效地检测核酸的双螺旋结构，例如。该引物是一种带标记的核酸，其中至少包含下式（16）所表示的一个结构，其中B是具有核苷酸骨架的原子团，E是具有脱氧核糖骨架，核糖骨架或从它们中的任何一个派生的结构，或具有肽结构或肽酰结构的原子团，而Z11和Z12是各自表现出荧光的原子团，它们相同或不同。
• Compound having structure derived from mononucleoside or mononucleotide, nucleic acid, labeling substance, and method and kit for detection of nucleic acid
  申请人：Okamoto Akimitsu

  公开号：US08383792B2

  公开（公告）日：2013-02-26

  The present invention provides, for example, a labeling substance that allows the double helix structure of a nucleic acid to be detected effectively. The present invention provides a compound having a structure derived from mononucleoside or mononucleotide, with the structure being represented by the following formula (1), (1b), or (1c), a tautomer or stereoisomer thereof, or a salt thereof. In the above formulae, B is an atomic group having a nucleobase skeleton, E is an atomic group having a deoxyribose skeleton, a ribose skeleton, or a structure derived from either one of them, or an atomic group having a peptide structure or a peptoid structure, and Z11 and Z12 each are a hydrogen atom, a protecting group, or an atomic group that exhibits fluorescence and may be identical to or different from each other.

  本发明提供了一种标记物质，例如，允许有效检测核酸的双螺旋结构。本发明提供了一种化合物，其结构源自单核苷酸或单核苷酸，该结构由以下公式（1），（1b）或（1c）表示，或其互变异构体或立体异构体，或其盐。在上述公式中，B是具有核碱基骨架的原子基团，E是具有脱氧核糖骨架，核糖骨架或源自其中任何一种的结构的原子基团，或具有肽结构或肽骨架的原子基团，Z11和Z12分别是氢原子，保护基或表现出荧光并且可以相同或不同的原子基团。