4,4′-((1E,1′E)-(2,5-dimethoxy-1,4-phenylene)bis(ethene-2,1-diyl))dibenzoic acid | 1202253-60-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4,4′-((1E,1′E)-(2,5-dimethoxy-1,4-phenylene)bis(ethene-2,1-diyl))dibenzoic acid
• 英文别名: 4,4'-(1E, 1'E)-2,2'-(2,5-dimethoxy-1,4-phenylene)bis(ethene-2,1-diyl)dibenzoic acid；4,4'-[(2,5-dimethoxy-1,4-phenylene)-di-2,1-ethenediyl]bisbenzoic acid；H2-PVDC；4,4'-((1E,1'E)-(2,5-Dimethoxy-1,4-phenylene)bis(ethene-2,1-diyl))dibenzoic acid；4-[(E)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]benzoic acid
• CAS: 1202253-60-8
• 化学式: C₂₆H₂₂O₆
• 分子量: 430.457
• InChiKey: GAQXUMBSTWVNCF-FNCQTZNRSA-N

物化性质

• 沸点：
  689.8±55.0 °C(Predicted)
• 密度：
  1.308±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  ytterbium(III) nitrate pentahydrate 、 erbium(III) nitrate hexahydrate 、 4,4′-((1E,1′E)-(2,5-dimethoxy-1,4-phenylene)bis(ethene-2,1-diyl))dibenzoic acid 以 not given 为溶剂， 生成 Er1.16Yb0.84(4,4'-[(2,5-dimethoxy-1,4-phenylene)-di-2,1-ethenediyl]bisbenzoate)3
  参考文献：
  名称：

  Near-Infrared Luminescent Lanthanide MOF Barcodes

  摘要：

  We demonstrate the conceptual advantage of using metal-organic frameworks (MOFs) for the creation of a polymetallic material that contains several different near-IR-emitting lanthanide cations and operates as a barcode material with unique luminescence properties. By choosing the ratio of lanthanide salts used during the synthesis, we can control the ratio of lanthanide cations present in the resulting material. We have demonstrated that the emission intensity of each of the different lanthanide cations is proportional to its amount in the MOF crystal, resulting in unique spectroscopic barcodes that depend on the lanthanide cation ratios and compositions.

  DOI：

  10.1021/ja907885m
• 作为产物：
  描述：

  dimethyl 4,4'-(1E,1'E)-2,2'-(2,5-dimethoxy-1,4-phenylene)bis(ethane-2,1-diyl)dibenzoate 在 水 、 potassium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 以83%的产率得到4,4′-((1E,1′E)-(2,5-dimethoxy-1,4-phenylene)bis(ethene-2,1-diyl))dibenzoic acid
  参考文献：
  名称：

  Near-infrared emitting ytterbium metal–organic frameworks with tunable excitation properties

  摘要：

  金属有机框架（MOF）的设计结合了近红外发射镱阳离子和有机敏化剂，可以制备具有可调节和增强光物理性质的新材料。

  DOI：

  10.1039/b909658b

文献信息

• The oligomer approach: An effective strategy to assess phenylene vinylene systems as organic heterogeneous photocatalysts in the degradation of aqueous indigo carmine dye
  作者：Mauricio Acelas、César A. Sierra

  DOI：10.1016/j.jphotochem.2020.112980

  日期：2021.1

  electron sacrificial donor was demonstrated as an effective approach to enhance the OPVs photocatalytic activity. However, a significant decrease in activity during the first three irradiation cycles was observed, indicating that the enhancement in photo- and chemical stability is required for further dye-contaminated water treatment applications.

  通过Mizoroki-Heck交叉偶联反应合成了四种低聚亚苯基亚乙烯基（OPV），以更深入地了解亚苯基亚乙烯基系统在水性介质中用于靛蓝胭脂红（IC）染料的多相光催化降解时的机理和命运。OPV在500 nm附近显示可见光吸收并具有可观的发射特性。使用自由基清除剂，单线态氧（1 O 2）捕集阱和ESI-IT-MS研究了OPV系统在靛蓝胭脂红水溶液上的稳定性，机理和光降解活性。确认超氧自由基（O 2 ·-），1 O 2和直接氧化是造成染料降解的原因。在中性pH条件下不会发生氢氧根自由基的形成，并且光催化剂的HOMO和LUMO含量证实了这一点。另外，草酸作为电子牺牲供体的使用被证明是增强OPVs光催化活性的有效方法。但是，观察到在前三个辐照循环中活性显着下降，这表明光和化学稳定性的增强是进一步被染料污染的水处理应用所必需的。
• [EN] NANOPARTICLES FOR CHEMOTHERAPY, TARGETED THERAPY, PHOTODYNAMIC THERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF<br/>[FR] NANOPARTICULES POUR CHIMIOTHÉRAPIE, THÉRAPIE CIBLÉE, THÉRAPIE PHOTODYNAMIQUE, IMMUNOTHÉRAPIE ET N'IMPORTE QUELLE COMBINAISON DE CES DERNIÈRES
  申请人：UNIV CHICAGO

  公开号：WO2017201528A1

  公开（公告）日：2017-11-23

  Prodrugs containing lipid moieties attached to drug derivatives, such as anti-cancer drug derivatives, via linkers comprising disulfide groups are described. Also described are nanoparticles coated with a lipid layer containing the prodrugs, formulations comprising the nanoparticles, and the use of the nanoparticles in methods of treating diseases, such as cancer, alone or in combination with additional drug compounds, targeting agents, and/or immunotherapy agents, such as immunosuppression inhibitors that target the CTLA-4, PD-1/PD-L1, IDO, LAG-3, CCR-7 or other pathways, or multiple immunosuppression inhibitors targeting a combination of such pathways. Optionally, the nanoparticles can comprise a photosensitizer or a derivative thereof and can be used in methods involving photodynamic therapy. Synergistic therapeutic effects result from combinations of multiple modalities provided by the disclosed nanoparticles and/or nanoparticle formulations.

  含有脂质基团连接到药物衍生物的前药，例如通过含有二硫键的连接剂连接到抗癌药物衍生物的前药被描述。还描述了涂有含有前药的脂质层的纳米粒子，包含这些纳米粒子的配方，以及在治疗疾病的方法中使用这些纳米粒子，例如癌症，单独或与额外的药物化合物、靶向剂和/或免疫疗法剂联合使用，例如靶向CTLA-4、PD-1/PD-L1、IDO、LAG-3、CCR-7或其他途径的免疫抑制抑制剂，或者靶向这些途径的多种免疫抑制抑制剂的组合。可选地，纳米粒子可以包含光敏剂或其衍生物，并可用于涉及光动力疗法的方法。由所披露的纳米粒子和/或纳米粒子配方提供的多种疗法模式的组合导致协同治疗效果。
• [EN] NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF<br/>[FR] NANOPARTICULES POUR THÉRAPIE PHOTODYNAMIQUE, THÉRAPIE PHOTODYNAMIQUE INDUITE PAR RAYONS X, RADIOTHÉRAPIE, CHIMIOTHÉRAPIE, IMMUNOTHÉRAPIE, ET TOUTE COMBINAISON DE CELLES-CI
  申请人：UNIV CHICAGO

  公开号：WO2016061256A1

  公开（公告）日：2016-04-21

  Metal-organic frameworks (MOFs) comprising photosensitizers are described. The MOFs can also include moieties capable of absorbing X- rays and/or scintillation. Optionally, the photosensitizer or a derivative thereof can form a bridging ligand of the MOF. Further optionally, the MOF can comprise inorganic nanoparticles in the cavities or channels of the MOF or can be used in combination with an inorganic nanoparticle. Also described are methods of using MOFs and/or inorganic nanoparticles in photodynamic therapy or in X-ray induced photodynamic therapy, either with or without the co-administration of one or more immunotherapeutic agent and/or one or more chemotherapeutic agent.

  金属有机框架（MOFs）包括光敏剂。MOFs还可以包括能够吸收X射线和/或闪烁的基团。可选地，光敏剂或其衍生物可以形成MOF的桥联配体。进一步可选地，MOF可以包括在MOF的腔或通道中的无机纳米粒子，或者可以与无机纳米粒子结合使用。还描述了在光动力疗法或X射线诱导的光动力疗法中使用MOFs和/或无机纳米粒子的方法，无论是否与一个或多个免疫治疗剂和/或一个或多个化学治疗剂联合给药。
• LANTHANIDE METAL-ORGANIC FRAMEWORKS AND USES THEREOF
  申请人：Petoud Ptéphane

  公开号：US20100072424A1

  公开（公告）日：2010-03-25

  Metal-organic frameworks (MOFs) are crystalline porous materials that include metal ions linked together into periodic structures via organic ligands. MOFs that contain lanthanide ions are a new class of visible and near-IR luminescent materials, suitable for a broad range of applications. For example, the MOF framework afforded by 2,5-dimethoxy-1,4-phenylene)di-2,1-ethenediyl]bis-carboxylate is associated with unusually long luminescence lifetimes. Thus, a complex of this ligand with a lanthanide provides a sharp emission profile, coupled with a comparatively long signal lifetime, for an unusually high luminescence. More generally, lanthanide-MOF systems exhibit several advantages that are ideal for barcoded materials, due to the photophysical attributes of lanthanide cations and the well-defined organization of the MOF structure.

  金属有机框架（MOFs）是由金属离子通过有机配体链接成周期结构的晶体多孔材料。包含镧系离子的MOFs是一种新型的可见光和近红外发光材料，适用于广泛的应用。例如，由2,5-二甲氧基-1,4-苯基）二-2,1-乙烯二酸的MOF框架与异常长的发光寿命相关。因此，这种配体与镧系离子的复合物提供了一个锐利的发射谱线，加上相对较长的信号寿命，产生了异常高的发光强度。更普遍地说，镧系-MOF系统具有多种优点，非常适合于条形码材料，这是由于镧系阳离子的光物理属性和MOF结构的良好定义组织。
• Nature of Color Diversity in Phenylenevinylene-Based Polymorphs
  作者：Juan C. Cárdenas、Lina M. Aguirre-Díaz、Johan F. Galindo、Jorge Alí-Torres、Cristian Ochoa-Puentes、Marcelo Echeverri、Berta Gómez-Lor、M. Ángeles Monge、Enrique Gutiérrez-Puebla、Cesar A. Sierra

  DOI：10.1021/acs.cgd.9b00328

  日期：2019.7.3

  theoretical study of the light emitting properties of (E,E)-2,5-dimethoxy-1,4-bis[2-(4-carboxylatestyryl)]benzene, a phenylenevinylene (PV, from now on) derivative in the solid state. Careful crystal growth under different conditions of this PV luminophore yields three different crystals with dissimilar color emissions with maxima ranging between 504 and 565 nm. Single crystal structure elucidations indicate

  在这项工作中，我们提供了对（E，E）-2,5-二甲氧基-1,4-双[2-（4-羧甲基苯乙烯基）]苯，亚苯基亚乙烯基（PV，从现在开始）固态的衍生物。在此PV发光体的不同条件下小心地生长晶体会产生三种不同的晶体，它们的颜色发射不同，最大范围在504至565 nm之间。单晶结构的阐明表明它们对应于DMF溶剂化物，表示为2·DMF（黄色）和两个名为2α（黄色）和2β的构象多晶型物（橘子）。对紧密接触和框架拓扑结构的分析不仅可以根据不同的分子内构象，而且可以根据观察到的不同分子间相互作用，使我们合理化所观察到的不同颜色。特别是，在2α和2β多晶型物中分别存在不同的C–H···π和π···π相互作用，会导致产生具有十六进制和bcu拓扑结构的超分子框架。理论研究强化了以下假设：晶格中的合作π···π相互作用是造成多晶型物2β中观察到的红移颜色的原因。实际上，与多晶型物2α所观察到的相反，由于我们在计算