1-methyl-4-[{3-(4-carboxybutyl)-2(3H)-benzothiazolylidene}methyl]quinolinium bromide | 1056651-25-2

• 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: 1-methyl-4-[{3-(4-carboxybutyl)-2(3H)-benzothiazolylidene}methyl]quinolinium bromide
• 英文别名: 5-[2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoic acid;bromide
• CAS: 1056651-25-2
• 化学式: Br*C₂₃H₂₃N₂O₂S
• 分子量: 471.418
• InChiKey: IPBFDSLWMQXHLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.83
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 1-methyl-4-[{3-(4-carboxybutyl)-2(3H)-benzothiazolylidene}methyl]quinolinium bromide 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 4-((3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)benzo[d]thiazol-2(3H)-ylidene)methyl)-1-methylquinolin-1-ium bromide
  参考文献：
  名称：

  Nucleic acid probe, method for designing nucleic acid probe, and method for detecting target sequence

  摘要：

  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。

  公开号：

  US09862989B2
• 作为产物：
  描述：

  5-溴戊酸 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 32.0h， 生成 1-methyl-4-[{3-(4-carboxybutyl)-2(3H)-benzothiazolylidene}methyl]quinolinium bromide
  参考文献：
  名称：

  Nucleic acid probe, method for designing nucleic acid probe, and method for detecting target sequence

  摘要：

  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。

  公开号：

  US09862989B2

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。
• 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。
• METHOD FOR ANALYZING TARGET NUCLEIC ACID, KIT, AND ANALYZER
  申请人：KABUSHIKI KAISHA DNAFORM

  公开号：US20150152496A1

  公开（公告）日：2015-06-04

  The present invention is to provide a method for analyzing a target nucleic acid, by which the target nucleic acid can be analyzed rapidly and easily. In order to achieve the above object, the present invention provides a method for analyzing a target nucleic acid in a sample, including the step of: analyzing the target nucleic acid in the sample by bringing the sample into contact with a label and with a primer or probe that can hybridize to the target nucleic acid. The primer or probe is immobilized on a solid phase. The label does not emit light when the primer or probe does not hybridize to the target nucleic acid, whereas the label emits light when the primer or probe has hybridized to the target nucleic acid. The analysis is carried out by detecting the light emitted from the label.

  本发明提供了一种分析目标核酸的方法，可以快速简便地分析目标核酸。为了达到上述目的，本发明提供了一种在样品中分析目标核酸的方法，包括以下步骤：将样品与一个标记和一个可以与目标核酸杂交的引物或探针接触，从而分析样品中的目标核酸。引物或探针被固定在固相上。当引物或探针未与目标核酸杂交时，标记不会发出光，而当引物或探针与目标核酸杂交时，标记会发出光。通过检测标记发出的光来进行分析。
• NUCLEIC ACID PROBE, METHOD FOR DESIGNING NUCLEIC ACID PROBE, AND METHOD FOR DETECTING TARGET SEQUENCE
  申请人：KABUSHIKI KAISHA DNAFORM

  公开号：US20150203902A1

  公开（公告）日：2015-07-23

  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.

  本发明提供了一种核酸探针，该探针可以通过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，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。至少两个表现出激子效应的荧光染料基团与核酸分子中的同一碱基或相邻的两个碱基结合，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。核酸分子的延伸侧端经过化学修饰，从而防止核酸分子的扩增反应。