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2-[2-(6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)-vinyl]-1,3,3-trimethyl-3H-indolium

中文名称
——
中文别名
——
英文名称
2-[2-(6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)-vinyl]-1,3,3-trimethyl-3H-indolium
英文别名
hemicyanine;5-[2-(1,3,3-trimethyl-1H-indol-1-ium-2-ylidene)ethylidene]-7,8-dihydro-6H-xanthen-3-one
2-[2-(6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)-vinyl]-1,3,3-trimethyl-3H-indolium化学式
CAS
——
化学式
C26H26NO2
mdl
——
分子量
384.498
InChiKey
RSTTXPRTTNKDPG-UHFFFAOYSA-O
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    4.6
  • 重原子数:
    29
  • 可旋转键数:
    1
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.27
  • 拓扑面积:
    30.7
  • 氢给体数:
    1
  • 氢受体数:
    2

反应信息

点击查看最新优质反应信息

文献信息

  • Iodinated xanthene-cyanine NIR dyes as potential photosensitizers for antimicrobial photodynamic therapy
    作者:T.M. Ebaston、Faina Nakonechny、Efrosiniia Talalai、Gary Gellerman、Leonid Patsenker
    DOI:10.1016/j.dyepig.2020.108854
    日期:2021.1
    challenging. Here we first report on the synthesis and antimicrobial testing of the new NIR photosensitizers based on the iodinated xanthene-cyanine dyes. These new photosensitizers exhibit high antimicrobial efficacy on Staphylococcus aureus pathogens at low dye concentration (~0.5 μM) and low NIR light dose (24.3 J/cm2).
    光敏剂(PSs)是化学实体,在曝光后能够产生细胞毒性物质,例如单线态氧超氧化物和自由基。PS用于光动力疗法应用(PDT)中以根除癌细胞,病原细菌,真菌和病毒。在黑暗条件下开发具有高光毒性和低毒性的可NIR活化的光敏剂具有挑战性。在这里,我们首先报道基于化x吨-花青染料的新型NIR光敏剂的合成和抗菌测试。这些新的光敏剂在低染料浓度(〜0.5μM)和低NIR光剂量(24.3 J / cm 2)下对黄色葡萄球菌病原体表现出很高的抗菌功效。
  • De novo synthesis of phenolic dihydroxanthene near-infrared emitting fluorophores
    作者:Jean-Alexandre Richard
    DOI:10.1039/c5ob01223f
    日期:——

    We report a flexiblede novosynthesis of phenolic dihydroxanthenes in 60–70% yield thanks to a one-pot cascade sequence.

    我们报告了一种灵活的de novo合成方法,通过一锅式串联反应,产率可达60-70%。
  • Multiplex Optical Urinalysis for Early Detection of Drug-Induced Kidney Injury
    作者:Penghui Cheng、Qingqing Miao、Jiaguo Huang、Jingchao Li、Kanyi Pu
    DOI:10.1021/acs.analchem.0c00989
    日期:2020.4.21
    Drug-induced kidney injury (DIKI) is a significant contributor of both acute and chronic kidney injury and remains a major concern in drug development and clinical care. However, current clinical diagnostic methods often fail to accurately and timely detect nephrotoxicity. This study reports the development of activatable molecular urinary reporters (MURs) that are able to specifically detect urinary biomarkers including γ-glutamyl transferase (GGT), alanine aminopeptidase (AAP), and N-acetyl-β-d-glucosaminidase (NAG). By virtue of their discrete absorption and emission properties, the mixture of MURs can serve as a cocktail sensor for multiplex optical urinalysis in the mouse models of drug-induced acute kidney injury (AKI) and chronic kidney disease (CKD). The MURs cocktail not only detects nephrotoxicity earlier than the tested clinical diagnostic methods in drug-induced AKI and CKD mice models, but also possesses a higher diagnostic accuracy. Therefore, MURs hold great promise for detection of kidney function in both preclinical drug screening and clinical settings.
    这项研究报告了一种可激活的分子尿液报告分子(MURs)的开发,这些分子能够特异性检测包括γ-谷酰转移酶(GGT)、丙氨基肽酶(AAP)和N-乙酰-β-D-氨基葡萄糖苷酶(NAG)在内的尿液生物标志物。由于它们具有独特的吸收和发射特性,MURs混合物可以作为多重光学尿液分析的鸡尾酒传感器,用于药物诱导的急性肾损伤(AKI)和慢性肾病(CKD)的小鼠模型研究。 在药物诱导的AKI和CKD小鼠模型中,MURs鸡尾酒不仅能比现有的临床诊断方法更早地检测到肾毒性,而且具有更高的诊断准确性。因此,MURs在临床前药物筛选和临床应用中对肾功能的检测具有广阔的应用前景。
  • [EN] MOLECULAR RENAL PROBES FOR DETECTING ACUTE KIDNEY INJURY<br/>[FR] SONDES RÉNALES MOLÉCULAIRES POUR DÉTECTER UNE INSUFFISANCE RÉNALE AIGUË
    申请人:UNIV NANYANG TECH
    公开号:WO2020159448A1
    公开(公告)日:2020-08-06
    Disclosed herein are compounds or salts and/or solvates of formula I, II and III, where the compounds or salts and/or solvates have the following structures: (X)a-Y-(Z)b I; II; or X'-Y' III; where X, Y, Z, X', Y', a, b, R4, R6 and R7 are as defined herein.
    本文披露了具有以下结构的化合物或盐和/或溶剂化合物I、II和III,其中化合物或盐和/或溶剂化合物具有以下结构:(X)a-Y-(Z)b I; II; 或X'-Y' III;其中X、Y、Z、X'、Y'、a、b、R4、R6和R7的定义如下。
  • A Renal‐Clearable Macromolecular Reporter for Near‐Infrared Fluorescence Imaging of Bladder Cancer
    作者:Jiaguo Huang、Yuyan Jiang、Jingchao Li、Shasha He、Jingsheng Huang、Kanyi Pu
    DOI:10.1002/anie.201911859
    日期:2020.3.9
    however, in vivo optical imaging of BC remains challenging because of the lack of cancer-specific optical agents with high renal clearance. Herein, a macromolecular reporter (CyP1) was synthesized for real-time near-infrared fluorescence (NIRF) imaging and urinalysis of BC in living mice. Because of the high renal clearance (ca. 94 % of the injection dosage at 24 h post-injection) and its cancer biomarker
    膀胱癌(BC)是一种高发病率和高死亡率的流行疾病。然而,由于缺乏具有高肾清除率的癌症特异性光学剂,因此对BC进行体内光学成像仍然具有挑战性。本文中,合成了一个大分子报告基因(CyP1),用于在活小鼠中进行BC的实时近红外荧光(NIRF)成像和尿液分析。由于高的肾脏清除率(注射后24 h约占注射剂量的94%)及其癌症生物标志物(APN =氨基肽酶N)的特异性,CyP1可以有效地转运至膀胱,并特别开启其NIRF信号至报告检测活小鼠中的BC。此外,CyP1可用于光学尿液分析,允许离体追踪肿瘤进展以进行治疗评估,并易于翻译CyP2作为体外诊断测定法。
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