folic acid dihydrate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: folic acid dihydrate
• 英文别名: Folic acid hydrate；(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;hydrate
• 化学式: C₁₉H₁₉N₇O₆*2H₂O
• 分子量: 477.434
• InChiKey: URUVNZVKCVQPNX-YDALLXLXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.87
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  210
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  folic acid dihydrate 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  叶酸和叶酸钠盐：热行为和光谱（IR、拉曼和固态 13C NMR）表征

  摘要：

  叶酸（FA；维生素 B9）及其相关钠盐与许多科学和技术应用密切相关——从营养学到药理学和纳米医学，缺乏结合实验和理论的表征。在这项工作中，FA 及其合成的钠盐以双阴离子 (Na 2 HFol) 或三阴离子 (Na 3 Fol) 的形式在固态下进行了光谱研究。光谱（红外、拉曼和固态13使用密度泛函理论 (DFT) 的理论计算支持 C-核磁共振) 数据解释。此外，这些化合物还通过紫外-可见漫反射光谱、组合热分析 (TG/DTG-DSC) 与质谱联用和 X 射线衍射进行了表征。确定了每个物种的主要特征，以及质子化水平对其物理化学性质的影响。这三种化合物的这些不同特性主要基于分配给谷氨酸（谷氨酸）和蝶呤（中性或阴离子）部分的信号。这项工作将有助于开发基于 FA 或其阴离子形式的新产品，例如治疗/药物递送系统、超分子结构、纳米碳或金属络合物。

  DOI：

  10.1016/j.saa.2022.120981

文献信息

• Reaction of Imidazole and 2-Methylimidazole with Copper(II) Salts and Certain Acids
  作者：N. A. Skorik、K. A. Il’ina、V. V. Kozik

  DOI：10.1134/s0036023621110188

  日期：2021.11

  prepared poorly soluble copper(II) benzoate Cu(C7H5O2)2 · 3H2O and nicotinate Cu(C6H4NO2)2 · H2O with imidazole and 2-methylimidazole has been determined. Mono- and biligand salts have been analyzed and their thermal decomposition has been studied. IR spectroscopy has shown the participation of pyridine nitrogen of imidazole and carboxylic groups of aromatic acids in binding to copper(II) ion. Composition

  摘要 双配体化合物的组成 Cu(C 3 H 4 N 2 , C 4 H 6 N 2 ) x ( \(\textC}}}}_\text7}}}}\text H}}}_\text5}}}}\textO}}_2}^ - },\) \(\textC}}}}_\ text6}}}}\textH}}}_\text4}}}}\textNO}}_2}^ - }\) ) 2 · n H 2通过制备的难溶铜的水性悬浮液的反应而得到的O（II）苯甲酸甲酯的Cu（C 7 H ^ 5 ö 2）2  ·3H 2 O和烟的Cu（C 6 H ^ 4 NO 2) 2 · H 2 O 与咪唑和 2-甲基咪唑已被测定。已经分析了单配体盐和双配体盐并研究了它们的热分解。红外光谱显示咪唑的吡啶氮和芳香酸的羧基参与与铜 (II) 离子的结合。苯甲酸铜(II) 络合物的组成和稳定性，盐Cu(C
• [EN] CHEMILUMINESCENT AND FLUORESCENT NANOPARTICLE FOR OPTICAL IMAGING OF CANCER<br/>[FR] NANOPARTICULE CHIMIOLUMINESCENTE ET FLUORESCENTE POUR L'IMAGERIE OPTIQUE DU CANCER
  申请人：UNIV COLORADO REGENTS

  公开号：WO2020081581A1

  公开（公告）日：2020-04-23

  The present invention provides compositions and methods for detecting tumor tissues in a subject. Embodiments of the present invention provide biocompatible chitosan nanoparticles suitable for dual modality optical imaging. Embodiments of the present invention provide methods for fabricating chitosan nanoparticles. Embodiments of the present invention provide methods for detecting tumor tissues in a subject using compositions provided by the present invention.

  本发明提供了一种在受试者中检测肿瘤组织的组合物和方法。本发明的实施例提供了适用于双模态光学成像的生物相容性壳聚糖纳米粒子。本发明的实施例提供了制备壳聚糖纳米粒子的方法。本发明的实施例提供了使用本发明提供的组合物检测受试者中的肿瘤组织的方法。
• d-metal folates and the folic acid–imidazole conjugate
  作者：N. A. Skorik

  DOI：10.1134/s0036023615110145

  日期：2015.11

  Metal folates MFol aEuro cent nH(2)O (M2+ = Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+; n = 4-6), silver folate Ag(2)Fol aEuro cent 3H(2)O, and the folic acid-imidazole conjugate H(2)Fol aEuro cent 3Im aEuro cent 2H(2)O were synthesized in aqueous solutions at a 1 : 1 M2+ : H(2)Fol molar ratio and pH 5.5-6.6. The compositions of the resulting compounds were determined by chemical, thermal, and gravimetric analysis. The composition of copper(II) folate was confirmed by elemental analysis; the solubility product of nickel folate (9.65 x 10(-9)) was estimated using solubility data. IR and electron absorption spectroscopy was used to show that oxygen atoms of carboxyl groups in folic acid and the pyridine nitrogen atom in imidazole are involved in bond formation in folates and the conjugate.
• New curcumin-trimesic acid cocrystal and anti-invasion activity of curcumin multicomponent solids against 3D tumor models
  作者：Indumathi Sathisaran、Dhiraj Devidas Bhatia、Sameer Vishvanath Dalvi

  DOI：10.1016/j.ijpharm.2020.119667

  日期：2020.9

  Curcumin (CUR) is a Biopharmaceutics Classification System (BCS) class IV drug with poor aqueous solubility and low permeability. The dissolution of CUR can be enhanced through the cocrystallization approach. In this work, we report a new cocrystal phase of CUR with trimesic acid (TMA) with the enhanced dissolution of CUR. Cytotoxicity and cell invasion assays were conducted on (2D) monolayers and three-dimensional (3D) tumor models of triple-negative breast cancer (TNBC) cells, MDA-MB-231 using the new CUR-TMA cocrystal phase along with different CUR solid forms prepared in our previous works. The cytotoxicity and internalization assays conducted on 2D monolayers indicated that all CUR multicomponent solid forms except Curcumin-Folic Acid Dihydrate (CUR-FAD) (1:1) coamorphous solid exhibited enhanced bioavailability than unprocessed CUR. Cell invasion assay conducted on 3D tumor spheroid models showed that Curcumin-Hydroxyquinol (CUR-HXQ) cocrystal completely inhibited cell invasion whereas CUR-FAD (1:1) coamorphous solid induced enhanced invasion of cells from spheroid models.
• CHEMILUMINESCENT AND FLUORESCENT NANOPARTICLE FOR OPTICAL IMAGING OF CANCER
  申请人：The Regents of the University of Colorado, a body corporate

  公开号：US20210369876A1

  公开（公告）日：2021-12-02

  The present invention provides compositions and methods for detecting tumor tissues in a subject. Embodiments of the present invention provide biocompatible chitosan nanoparticles suitable for dual modality optical imaging. Embodiments of the present invention provide methods for fabricating chitosan nanoparticles. Embodiments of the present invention provide methods for detecting tumor tissues in a subject using compositions provided by the present invention.