1-(5-carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-(5-carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium
• 英文别名: 6-(2,3,3-Trimethylindol-1-ium-1-yl)hexanoic acid
• 化学式: C₁₇H₂₄NO₂
• 分子量: 274.383
• InChiKey: HRZRUURUDZAWAZ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  40.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(5-carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium 在 水 、 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 6-[2-[(2-Hydroxy-3,4-dioxocyclobuten-1-yl)methylidene]-3,3-dimethylindol-1-yl]hexanoic acid
  参考文献：
  名称：

  一种磺酸基修饰的水溶性方酸菁探针的制备和应用

  摘要：

  本发明属于化学分析测试领域，具体涉及一种磺酸基修饰的水溶性方酸菁探针的制备和应用。先将2,3,3‑三甲基‑3H‑吲哚和1‑碘戊酸反应生成化合物A，然后和方酸二乙酯回流4小时得到化合物B，再酸化反应产物，并与1‑乙基‑2,3,3‑三甲基‑3H‑吲哚‑1‑鎓‑5‑磺酸酯加热回流，通过分离提纯，得到最终产品。本发明得到的方酸菁化合物具有优良的光学性能和离子选择性，有利于对汞离子和铁离子的检测。

  公开号：

  CN107686668A
• 作为产物：
  描述：

  3-甲基-2-丁酮 在 溶剂黄146 作用下， 反应 96.0h， 生成 1-(5-carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium
  参考文献：
  名称：

  Evaluation of asymmetric orthogonal cyanine fluorophores

  摘要：

  Pentamethine cyanine (Cy5) fluomphores have proven to be versatile imaging agents (i.e., tracers) for a range of micro- and macroscopic imaging applications, including image-guided surgery. In this study the relationship between the structure of asymmetric Cy5 fluorophores and their photophysical properties was studied. To this end, seven Cy5 analogues, bearing orthogonal N-indole substituents (H, SC3-, or benzene), were synthesised and evaluated. In-depth analysis revealed that introduction of sulfonates enhanced the fluorescence brightness and photostability, while reducing the lipophilicity, serum binding and stacking tendency. The addition of benzene moieties induced a bathochromic shift of 10-20 nm, increased the lipophilicity (LogP = -1.56-1.23) and serum binding (67.3-93.8% bound), as well as negatively impacted the brightness (0.74-42.9 . 10(3) M-1 cm(-1)), photostability (24.4-90.6% remaining), and stacking tendency. Chemical stability was uninfluenced by the substitution pattern. Additionally, the generation of a c[RGDyK]-based hybrid tracer based on one of these fluomphores in combination with a diethylenetriaminepentaacetic acid (DTPA) chelate and an In-111-isotope was reported. This compound was evaluated in vitro using alpha(v)beta(3)-overexpressing Ge beta 3 cells and in vivo using a 4T1 mouse tumour model. Overall, the presented results imply that alterations of the asymmetrical orthogonal Cy5 fluomphore structure have impact on the (photo)physical properties. Furthermore, the orthogonal Cy5 fluorophore framework can readily be applied in tracer development.

  DOI：

  10.1016/j.dyepig.2020.108712

文献信息

• MEANS AND METHODS FOR VISUALIZATION OF TISSUE STRUCTURES
  申请人：GRETZ Norbert

  公开号：US20190353565A1

  公开（公告）日：2019-11-21

  The present invention relates to a chemical compound comprising (i) a polycationic polymer, coupled to (ii) a dye. The present invention further relates to a method for visualizing a glycosamine-containing structure in a biological sample comprising a) contacting an inner lumen of said biological sample with a dye-conjugated polycationic polymer, preferably with the chemical compound according to the present invention; b) tissue-clearing said biological sample; and, thereby, c) visualizing an internal glycosamine-containing structure in said biological sample. The present invention also relates to a method for determining the number and/or size of glomeruli in a kidney or a sample thereof making use of the method for visualizing a glycosamine-containing structure; and also relates to kits and uses related to said chemical compounds and said methods.

  本发明涉及一种化合物，包括（i）与（ii）染料偶联的多阳离子聚合物。本发明还涉及一种用于在生物样本中可视化含有氨基葡萄糖胺结构的方法，包括a）用染料偶联的多阳离子聚合物接触所述生物样本的内腔，优选地使用根据本发明的化合物；b）对所述生物样本进行组织透明化；从而c）在所述生物样本中可视化内部含有氨基葡萄糖胺结构。本发明还涉及一种利用用于可视化含有氨基葡萄糖胺结构的方法确定肾脏或其样本中的肾小球数量和/或大小的方法；还涉及与所述化合物和方法相关的试剂盒和用途。
• LUMINESCENT COMPOUNDS
  申请人：Terpetschnig Ewald A.

  公开号：US20120035346A1

  公开（公告）日：2012-02-09

  Dyes and photoluminescent compounds based on polymethine dyes that contain at least one alkyl-phosphonate or substituted alkyl-phosphonate group, including the synthetic precursors, methods of synthesis, and applications thereof. Certain embodiments include heterocyclic ring systems and polymethine linkage are selected such that the resulting polymethine dye is a cyanine dye, a merocyanine dye, or a styryl dye.

  基于聚甲烯染料的染料和光致发光化合物，其中至少含有一个烷基膦酸酯或取代烷基膦酸酯基团，包括合成前体、合成方法及其应用。某些实施例包括选择杂环环系统和聚甲烯链结构，以使得所得的聚甲烯染料为青菁染料、美洛青菁染料或偶氮染料。
• 一种具有刺激响应性的超分子光热剂化合物及其组合物和应用
  申请人：青岛科技大学

  公开号：CN113321644B

  公开（公告）日：2022-11-08

  本发明涉及一种具有刺激响应性的超分子光热剂化合物及其组合物和应用，提供了具有式(Ⅰ)、式(Ⅱ)或式(Ⅲ)所示结构或其异构体、药学上可接受的盐、水合物或溶剂化物在水溶液中自组装形成的微纳结构，及其药物组合物及其在制备双靶向光治疗药物、制备诊断和/或治疗癌症的药物、刺激响应性释放药物中的应用。本发明所提供的化合物可以通过被动和主动双重靶向富集在肿瘤组织中，且在肿瘤微环境病理性刺激响应下可进行光热剂的释放，表现出更高的光热转换效率、优异的光热稳定性和荧光成像的优势，用于体内癌症光治疗的效果好、创伤小，具备极大的市场价值和广阔的经济前景。
• NOVEL NONLINEAR CHROMOPHORES ESPECIALLY SUITED FOR USE IN ELECTRO-OPTICAL MODULATION
  申请人：Bretonniere Yann

  公开号：US20130123508A1

  公开（公告）日：2013-05-16

  The present invention relates to heptamethine hemicyanine chromophores of formula (I): where R 1 , R 2 , R 3 , R 4 , R′ 4 , R 5 , R′ 5 , R 6 , R′ 6 , R 7 , X, Y 1 and Y 2 are as defined in claim 1 , to the method for preparing same as well as to the use of such chromophores for the second-order nonlinear optical property thereof.

  本发明涉及式(I)的七甲基半青光染料，其中R1、R2、R3、R4、R′4、R5、R′5、R6、R′6、R7、X、Y1和Y2如权利要求1所定义，以及制备同类物质的方法，以及利用这种染料的二阶非线性光学性质。
• FRET-based cyanine probes for monitoring ligation reactions and their applications to mechanistic studies and catalyst screening
  作者：E. Herbst、D. Shabat

  DOI：10.1039/c5ob02127h

  日期：——

  FRET-based assay to monitor such reactions and illustrate how the assay is used to monitor two particular reactions: native chemical ligation (NCL) and oxime ligation. For both reactions we show that by employing appropriately designed probes FRET measurements could be used to monitor the reaction's progress. We additionally demonstrate the usefulness of the developed probe system to study the mechanisms

  越来越需要设计更好的方法来在温和的水性条件下以小规模选择性地连接两个分子。寻找此类方法的过程很大程度上取决于采用适当的测定方法。我们在此报告基于模块FRET的测定法，以监测此类反应，并说明该测定法如何用于监测两个特定反应：天然化学连接（NCL）和肟连接。对于这两种反应，我们都表明，通过使用适当设计的探针，FRET测量可用于监控反应进程。我们另外证明了开发的探针系统对研究连接反应机理的有用性，例如，用于监测NCL反应中三聚体中间体的形成。最后，