5-(吡啶-4-基)间苯二甲酸 | 1262962-06-0

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-(吡啶-4-基)间苯二甲酸
• 英文名称: 5-(pyridin-4-yl)isophthalic acid
• 英文别名: 5-(4-pyridyl)isophthalic acid；5-(pyridine-4-yl)isophthalic acid；5-(Pyridin-4-yl)isophthalic acid；5-pyridin-4-ylbenzene-1,3-dicarboxylic acid
• CAS: 1262962-06-0
• 化学式: C₁₃H₉NO₄
• 分子量: 243.219
• InChiKey: VJMFFUYADOLVPM-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 沸点：
  536.9±50.0 °C(Predicted)
• 密度：
  1.405±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：室温，密封保存。

反应信息

• 作为反应物：
  描述：

  5-(吡啶-4-基)间苯二甲酸 在 三乙烯二胺 、 magnesium(II) nitrate hexahydrate 、 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  10.1002/aoc.7786

  摘要：

  ABSTRACTA novel 3D magnesium‐based metal organic framework (Mg‐MOF) has been solvothermally synthesized using 5‐(pyridin‐4‐yl)isophthalic acid. The ligand has demonstrated to preserve two types of coordination modes depending on the connection mode of the pyridine group. The uncoordinated pyridine groups provide Lewis base sites (LBSs), whereas the coordinated ones promote to form a rarely reported eight‐connected tetranuclear Mg clusters. Benefiting from the multinuclearity with high number of connections, the framework keeps good performance of high thermal stability until 500°C. Furthermore, the framework exhibits potential open metal sites (OMSs) benefiting from the terminal coordinated water groups of the metal clusters. Owing to the abundant active sites, the Mg‐MOF exhibits good sensitivity to nitrofuran antibiotics and Cr2O72−, with high KSV (at 104 M−1 level) and low limit of detection (LOD) values (∼10−6 M). Density functional theory (DFT) investigation reveals that the interchange of the HOMO–LUMO energy levels of the framework and antibiotics is responsible for the sensing activity. In addition, the Mg‐MOF is greatly recyclable in five cycles while maintaining the structural rigidity and sensing activity, making it a promising luminescence probe material.

  DOI：

  10.1002/aoc.7786
• 作为产物：
  描述：

  dimethyl 5-(pyridin-4-yl)isophthalate 在 甲醇 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 5-(吡啶-4-基)间苯二甲酸
  参考文献：
  名称：

  三个等网状配位框架中 C2/CO2 分离的取代工程支持的结构刚性化和性能改进

  摘要：

  由于C 2烃在化学工业中的重要作用，构建适用于从C 2烃中吸附去除CO 2的多孔固体材料的需求很高，但由于C 2烃与CO 2之间具有相似的物理参数，因此极具挑战性. 特别是，由于两者之间经常存在权衡效应，开发同时提高吸收能力和吸附选择性的合成策略非常困难。在这项工作中，双铜桨轮单元和带有不同取代基的 4-吡啶基间苯二甲酸酯衍生物的组合提供了一个等网状配位框架化合物家族作为平台。系统地研究了它们对C 2烃和CO 2的吸附性能，随后的IAST和密度泛函理论计算结合柱突破实验验证了它们对C 2 /CO 2的巨大潜力分离。此外，取代基工程赋予所得化合物同时增强吸收能力和吸附选择性，因此与其母体化合物相比具有更好的C 2 /CO 2分离性能。取代基的引入不仅通过固定配体构象以建立气体吸附所需的更好的永久孔隙率来减轻骨架变形，而且还使骨架表面极化以改善主客体相互作用，从而提高分离性能。

  DOI：

  10.1021/acs.inorgchem.2c03657
• 作为试剂：
  描述：

  4,4-二(1H-咪唑-1-基)-1,1-联苯 、 cobalt nitrate hexahydrate 、 水 在 5-(吡啶-4-基)间苯二甲酸 、 sodium hydroxide 作用下， 反应 72.0h， 以59%的产率得到{[Co(4,4′-bis(imidazol-1-yl)biphenyl)3(H2O)2][NO3]2·H2O}n
  参考文献：
  名称：

  Coordination polymers (Ni^II and Co^II) based on the rigid bridging ligand, 4,4′-bis(imidazol-1-yl)biphenyl, with (4⁶) topology

  摘要：

  Two coordination polymers, {[Ni-0.5(4,4'-bib)Cl][(4,4'-bib)(0.5)]center dot H2O}(n) (1) and {[Co(4,4'-bib)(3)(H2O)(2)][NO3](2)center dot H2O}(n) (2) (4,4'-bib = 4,4'-bis(imidazol-1-yl)biphenyl) have been hydrothermally synthesized. Their structures have been determined by single-crystal X-ray diffraction analyses and are further characterized by elemental analyses, IR, thermogravimetric analyses, and powder X-ray diffraction. In 1, each Ni-II is linked by four mu(2-4),4'-bib ligands in 2-D (4,4)-networks, which are further connected through host-guest interaction to form a 3-D packing diagram with 1-D channels. In 2, each Co-II is linked by two mu(2-4),4'-bib and two mu(1-4),4'-bib ligands in a 1-D zigzag chain, further connected through non-covalent interactions (including O-H center dot center dot center dot N, O-H center dot center dot center dot O, C-H center dot center dot center dot pi, and pi center dot center dot center dot pi interactions) to form a 3-D supramolecular structure. 4,4'-bib exhibits mu(2)-, mu(1)-, and mu(0)-coordination during the construction of 1 and 2. From the topological view, the overall structures of 1 and 2 possess (4(6)) topology.

  DOI：

  10.1080/00958972.2013.798653

文献信息

• [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。
• Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning
  作者：Wen-Yuan Pei、Guohai Xu、Jin Yang、Hui Wu、Banglin Chen、Wei Zhou、Jian-Fang Ma

  DOI：10.1021/jacs.7b03169

  日期：2017.6.7

  assembly of metal-coordinated calix[4]resorcinarene cavitands and cages by tuning of the ancillary linkers. Assembly of newly functionalized cavitand with angular isophthalic acid analogs affords three intriguing metal-coordinated cavitands with deep cavities, 1a-1c. Further, by mediating appropriate spacers between two isophthalic acids, two bowl-shaped cavitands are successfully joined together to

  我们提出了一种通过调节辅助接头来组装金属配位杯 [4] 间苯二酚空腔和笼的设计策略。用有角的间苯二甲酸类似物组装新功能化的空洞，提供了三个有趣的具有深空腔的金属配位空洞，1a-1c。此外，通过在两种间苯二甲酸之间介导适当的间隔物，两个碗状空腔成功地连接在一起，以产生三个具有可调尺寸和形状的优雅配位笼，2a-2c。空腔和笼状晶体具有相当数量的可接近的孔隙率，正如气体吸附测量所明确确定的那样。值得注意的是，1a-1c 还表现出高度的结构灵活性，在客体分子被去除和吸附后，在开孔和窄孔结构之间可逆地转换，衍射和气体吸附测量证明了这一点。通过将实验研究与密度泛函理论 (DFT) 计算相结合，我们彻底阐明了这种新型柔性多孔固体中响应外部刺激的结构转变机制。
• [EN] NANOSCALE METAL-ORGANIC LAYERS AND METAL-ORGANIC NANOPLATES FOR X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, RODIODYNAMIC THERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF<br/>[FR] COUCHES ORGANOMÉTALLIQUES NANOMÉTRIQUES ET NANOPLAQUES ORGANOMÉTALLIQUES POUR THÉRAPIE PHOTODYNAMIQUE INDUITE PAR RAYONS X, RADIOTHÉRAPIE, THÉRAPIE RODIODYNAMIQUE, CHIMIOTHÉRAPIE, IMMUNOTHÉRAPIE, ET TOUTE COMBINAISON DE CELLES-CI
  申请人：UNIV CHICAGO

  公开号：WO2019028250A1

  公开（公告）日：2019-02-07

  Metal-organic layers (MOLs) and metal-organic nanoplates (MOPs) comprising photosensitizers are described. The MOLs and MOPs can also include moieties capable of absorbing X-rays or other ionizing irradiation energy and/or scintillation. Optionally, the photosensitizer or a derivative thereof can form a bridging ligand of the MOL or MOP. Also described are methods of using MOLs and MOPs in photodynamic therapy, X-ray induced photodynamic therapy (X-PDT), radiotherapy (RT), radiodynamic therapy, or in radiotherapy-radiodynamic therapy (RT-RDT), either with or without the co-administration of another therapeutic agent, such as a chemotherapeutic agent or an immunomodulator.

  金属有机层(MOLs)和金属有机纳米片(MOPs)，包括光敏剂。MOLs和MOPs还可以包括能够吸收X射线或其他电离辐射能量和/或闪烁的基团。可选地，光敏剂或其衍生物可以形成MOL或MOP的桥联配体。还描述了在光动力疗法、X射线诱导光动力疗法(X-PDT)、放射疗法(RT)、放射动力疗法或在放射疗法-放射动力疗法(RT-RDT)中使用MOLs和MOPs的方法，无论是否与另一种治疗剂，如化疗剂或免疫调节剂的联合给药。
• [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。
• WATER CAPTURE METHODS, DEVICES, AND COMPOUNDS
  申请人：University of Limerick

  公开号：US20200030737A1

  公开（公告）日：2020-01-30

  A method of capturing water from a gaseous composition comprising water vapour (e.g., air), the method comprising: (a) providing a metal-organic material; and (b) contacting the metal-organic material with water and/or water vapour; wherein upon contact with water and/or water vapour the material switches from a first state to a second state wherein the second state is able to retain a higher amount of water than the first state.

  一种从含水蒸气（例如空气）中捕获水的方法，包括以下步骤：(a) 提供金属有机材料；和(b) 将金属有机材料与水和/或水蒸气接触；其中，在接触水和/或水蒸气时，该材料从第一状态切换到第二状态，第二状态能够比第一状态更多地保留水。