8-bromo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline | 64230-25-7

• 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: 8-bromo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline
• 英文别名: 8-bromo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline；6-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
• CAS: 64230-25-7
• 化学式: C₁₂H₁₄BrN
• 分子量: 252.154
• InChiKey: DUYPIIPRJQKGSI-UHFFFAOYSA-N

物化性质

• 沸点：
  179-181 °C(Press: 4 Torr)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  8-bromo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline 在 碘 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.5h， 生成 C₃₃H₃₃N₂O⁽¹⁺⁾
  参考文献：
  名称：

  用于光声成像的长波长呫吨染料

  摘要：

  光声（PA）成像是一种强大的生物医学成像方式。我们设计了KeTMR和KeJuR ，这两种基于呫吨的染料，可以通过两步合成路线轻松获得。与KeTMR相比， KeJuR具有低分子量、良好的水溶性和优异的化学稳定性。 KeJuR在 860 nm 激发下显示出强大的 PA 信号，可与传统 PA 染料配对，在组织模拟环境下对血液样本进行多重成像。

  DOI：

  10.1039/d2cc03947h
• 作为产物：
  描述：

  久洛尼定 生成 8-bromo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline
  参考文献：
  名称：

  ROSEVEAR J.; WILSHIRE J. F. K., AUSTRAL. J. CHEM., 1977, 30, NO 7, 1561-1572

  摘要：

  DOI：

文献信息

• QUENCHER
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：US20170342031A1

  公开（公告）日：2017-11-30

  A quencher is disclosed having a compound represented by the following general formula (1): wherein R 5 each independently represent a halogen atom, an alkyl group, an alkoxy group, an alkylthio group, an amino group having a substituent or not having a substituent, a hydroxy group, an aryl group, an aryloxy group, or an arylalkyl group; R 6 represents a group having a polymerizable unsaturated group, a hydroxy group, or the like; Y 1 represents an oxygen atom, or the like; An − represents an anion; Ar 1 represents a specific ring structure; * and ** represent binding positions; Ar 2 represents a benzene ring, a naphthalene ring, or an anthracene ring; n 1 represents a specific integer; and the following structure (1-10) in the general formula (1) is an asymmetric structure; (wherein R 5 , Y 1 , Ar 1 , Ar 2 , n 1 , * and ** are the same as described above.).

  一种淬灭剂被公开，该淬灭剂具有以下一般公式(1)表示的化合物： 其中R5各自独立代表一个卤素原子、一个烷基团、一个烷氧基团、一个烷硫基团、一个带有或不带有取代基的氨基团、一个羟基、一个芳基团、一个芳氧基团或一个芳烷基团；R6代表一个具有可聚合不饱和基团、一个羟基或类似基团的集团；Y1代表一个氧原子或类似；An代表一个阴离子；Ar1代表一个特定的环结构；*和**代表结合位置；Ar2代表一个苯环、一个萘环或一个蒽环；n1代表一个特定的整数； 并且一般公式(1)中的以下结构(1-10)是一个不对称结构； (其中R5、Y1、Ar1、Ar2、n1、*和**与上述描述相同)。
• NEAR-INFRARED FLUORESCENT DYES AND USES THEREOF
  申请人：East China University of Science and Technology

  公开号：US20180291206A1

  公开（公告）日：2018-10-11

  The invention relates to a near-infrared fluorescent dye and use thereof, and particularly relates to compounds represented by following Formulae A, B and C, wherein each group in the Formulae is described in the specification. Further provided are a dye composition comprising the compound represented by Formula A or Formula B, and a preparation method of the compound represented by Formula A or Formula B. The compound has a maximum absorption wavelength of 880 nm, considerably exceeding maximum absorption wavelengths of the majority of small-molecule near-infrared fluorescent dyes in the prior art. Moreover, the structure thereof does not aggregate even if the concentration thereof is excessively high, thereby having considerably high chemical stability and light stability.

  该发明涉及一种近红外荧光染料及其使用，特别涉及以下式A、B和C所代表的化合物，其中式中的每个基团在说明书中有描述。还提供了一种包括由式A或式B代表的化合物的染料组合物，以及一种制备由式A或式B代表的化合物的方法。该化合物具有880纳米的最大吸收波长，远远超过先前技术中大多数小分子近红外荧光染料的最大吸收波长。此外，即使其浓度过高，其结构也不会聚集，因此具有相当高的化学稳定性和光稳定性。
• [EN] HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS<br/>[FR] HOMOALLYLAMINES EN TANT QUE DÉCLENCHEURS SENSIBLES AU FORMALDÉHYDE
  申请人：UNIV CALIFORNIA

  公开号：WO2017034927A1

  公开（公告）日：2017-03-02

  Probes for formaldehyde (FA) including a homoallylamine trigger group attached to a detectable moiety are provided. Aspects of the probes include luminogenic or fluorogenic probes, such as a probe including a quencher in energy-receiving proximity to a fluroophore. Also provided are methods of using the probes for sensitive and bioorthogonal detection of FA in a sample. Aspects of the methods include selectively reacting the probe with the formaldehyde in the sample to a release (e.g., via a 2-aza- Cope rearrangement) a reporter group comprising a detectable moiety. Aspects of the methods detecting formaldehyde in a cell, tissue, organ or fluid in a subject. Also provided are compositions and kits including the subject probes that find use in practicing various embodiments of the subject methods.

  提供了一种包括与可检测基团连接的全丙烯胺诱导基团的甲醛（FA）探针。探针的方面包括发光或荧光探针，例如包括在能量接收距离内与荧光团结合的猝灭剂的探针。还提供了使用这些探针在样本中对FA进行敏感和生物正交检测的方法。方法的方面包括选择性地将探针与样本中的甲醛反应，以释放（例如，通过2-aza-Cope重排）包含可检测基团的报告基团。方法的方面包括检测主体中的细胞、组织、器官或液体中的甲醛。还提供了包括这些主体探针的组合物和试剂盒，用于实施主体方法的各种实施方式。
• Bright, Stable, and Biocompatible Organic Fluorophores Absorbing/Emitting in the Deep Near-Infrared Spectral Region
  作者：Zuhai Lei、Xinran Li、Xiao Luo、Haihong He、Jing Zheng、Xuhong Qian、Youjun Yang

  DOI：10.1002/anie.201612301

  日期：2017.3.6

  family of brightly fluorescent dyes (ECX) to meet this challenge. ECX dyes are transparent to the visible region, while strongly absorbing in the NIR region at approximately 880 nm. They emit at around 915 nm with a fluorescence quantum yield up to 13.3 %. ECX dyes exhibit high chemostability, high photostability, and low tendency to aggregate. Other merits of ECX dyes include low degree of solvatochromism

  在800-950 nm范围内具有光谱活性的小分子有机荧光团因其在生物医学和材料应用中的广阔潜力而受到追捧。我们已经开发了一个新的明亮荧光染料（ECX）系列，以应对这一挑战。ECX染料对可见光区域是透明的，而在约880 nm的NIR区域中却会强烈吸收。它们在915 nm处发射，荧光量子产率高达13.3％。ECX染料显示出高的化学稳定性，高的光稳定性和低聚集趋势。ECX染料的其他优点包括低溶剂溶性和易于合成后的衍生作用。ECX 染料有可能为光谱和显微应用提供800-950 nm的区域，并且有望用于广泛的材料应用。
• AMINO-SILA-PYRONIN COMPOUND-BASED ONE- OR TWO-PHOTON ABSORPTION FLUORESCENT SUBSTANCE AND USE THEREOF
  申请人：POSTECH ACADEMY-INDUSTRY FOUNDATION

  公开号：US20200247831A1

  公开（公告）日：2020-08-06

  The present invention relates to a silicon-substituted amino-pyronin compound derivative, a cell- or tissue-imaging method using the same, a cancer diagnosis method using the same, and a method for preparation of the same. More specifically, serving as a two-photon absorption fluorescent substance which has longer absorption and emission wavelengths in red or near-infrared regions of 625 nm or greater, compared to conventional one-photon absorption fluorescent substances, the silicon-substituted amino-pyronin compound derivative can minimize the influence of self-fluorescence in a bioimaging study and is thus expected to be suitable for high-resolution imaging in deep tissues. A fluorescent probe developed on the basis of the fluorescent substance platform is expected to find an expanded range of applications in analyzing and imaging specific materials in vivo.

  本发明涉及一种硅取代氨基吡罗宁化合物衍生物，以及使用该衍生物的细胞或组织成像方法、使用该方法的癌症诊断方法和制备该方法的方法。更具体地说，作为一种双光子吸收荧光物质，与传统的单光子吸收荧光物质相比，硅取代氨基吡罗宁化合物衍生物在红色或近红外区域的吸收和发射波长更长，达到625纳米或更大，可以最大限度地减少生物成像研究中自身荧光的影响，因此预计适用于深层组织的高分辨率成像。基于荧光物质平台开发的荧光探针预计将在体内分析和成像特定材料方面找到更广泛的应用范围。