4,4'-(6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-diyl)bis(N,N-bis(4-(octyloxy)phenyl)aniline) | 1296304-30-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,4'-(6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-diyl)bis(N,N-bis(4-(octyloxy)phenyl)aniline)
• CAS: 1296304-30-7
• 化学式: C₈₈H₁₀₂N₆O₄S
• 分子量: 1339.88
• InChiKey: AUOFQSCAINHEGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.2
• 重原子数：
  99.0
• 可旋转键数：
  42.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  94.96
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  4,9-二溴-6,7-二苯基-苯并[C][1,2,5]噻二唑并[3,4-G]喹喔啉 、 4-(octyloxy)-N-(4-(octyloxy)phenyl)-N-(4-(tributylstannyl)phenyl)aniline 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以51%的产率得到4,4'-(6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-diyl)bis(N,N-bis(4-(octyloxy)phenyl)aniline)
  参考文献：
  名称：

  Donor–acceptor type silole compounds with aggregation-induced deep-red emission enhancement: synthesis and application for significant intensification of near-infrared photoluminescence

  摘要：

  通过有效的福斯特共振能量转移，客体（弱近红外发射体）-主体（强深红发射体）系统的近红外发射（850 nm）通过在508 nm激发主体分子而得到极大增强，而相比之下，在660 nm激发客体分子则效果不佳。

  DOI：

  10.1039/c1cc00066g

文献信息

• [EN] AIE COMPOUNDS WITH FLUORESCENCE, PHOTOACOUSTIC, AND RAMAN PROPERTIES<br/>[FR] COMPOSÉS AIE À PROPRIÉTÉS DE FLUORESCENCE, PHOTOACOUSTIQUES ET RAMAN
  申请人：UNIV HONG KONG SCI & TECH

  公开号：WO2020182174A1

  公开（公告）日：2020-09-17

  The present subject matter relates to fluorescent compounds that have aggregation-induced emission (AIE) characteristics. The compounds exhibit boosted fluorescence, photoacoustic (PA) properties, and Raman properties. The compounds, in nanoparticle form, can generate high fluorescence, PA, and Raman signals in aqueous environments. The compounds can be used to identify tumors at different surgical stages and improve cancer surgery outcomes.

  本主题涉及具有聚集诱导发光（AIE）特性的荧光化合物。这些化合物表现出增强的荧光、光声（PA）特性和拉曼特性。这些化合物以纳米粒子形式，在水性环境中能够产生高荧光、光声和拉曼信号。这些化合物可以用于在不同手术阶段识别肿瘤并改善癌症手术结果。
• Boosting Fluorescence-Photoacoustic-Raman Properties in One Fluorophore for Precise Cancer Surgery
  作者：Ji Qi、Jun Li、Ruihua Liu、Qiang Li、Haoke Zhang、Jacky W.Y. Lam、Ryan T.K. Kwok、Dingbin Liu、Dan Ding、Ben Zhong Tang

  DOI：10.1016/j.chempr.2019.07.015

  日期：2019.10

  Multi-modality organic imaging agents hold great potential for comprehensive disease diagnosis and treatment by taking advantage of each mode, yet the development is less than satisfied. Here, we develop the one-for-all agent with boosted fluorescence, photoacoustic (PA), and Raman properties by tuning the molecular structure and intramolecular motion for triple-modality imaging-guided cancer surgery. Compared with the other analogs, compound OTPA-TQ3 can generate the highest fluorescence, PA, and Raman (2,215 cm(-1)) signals, which presents the first organic molecule integrating with these optical imaging modalities. In vivo experiments with the OTPA-TQ3-based nanoagent help to decipher tumor information at different surgical stages and improve cancer surgery outcomes. The pre-operative fluorescence and PA imaging are capable of providing comprehensive tumor information, while the intraoperative fluorescence and Raman imaging delineate tumor margins in a sensitive high-contrast manner. This one-for-all organic molecular agent allows for accurate cancer imaging and resection, rendering great promise for integrated multi-modality imaging applications.