Riboflavina Fosfato sódico - PharmPure™, USP , CAS No.130-40-5

CAS: 130-40-5 Cat. No.: R106431 Peso molecular: 478.33 Beilstein Registry Number: 4106529 Número EC: 204-988-6 PubChem CID: 23666409

GRADE & PURITY PharmPure™, USP

Synonyms

Photrexa | Riboflavine-5'-phosphate sodium | FLAVIN MONONUCLEOTIDE MONOSODIUM SALT [MI] | NSC 759230 | Riboflavina 5 fosfato de sodio | Riboflavin 5'-(dihydrogen phosphate), sodium salt (1:1) | Riboflavin monophosphate monosodium salt | W-108348 | MFCD000

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

El hidrato de sal sódica de riboflavina 5′-fosfato se ha utilizado

- como agente fotosensibilizante para evaluar la eficacia in vitro de la terapia fotodinámica (TFD) sobre hongos.

- para evaluar su administración in vivo en córneas de rata.

- como componente de la mezcla madre de vitaminas y factores de crecimiento.

Specifications

Sinónimos

Photrexa | Riboflavine-5'-phosphate sodium | FLAVIN MONONUCLEOTIDE MONOSODIUM SALT [MI] | NSC 759230 | Riboflavina 5 fosfato de sodio | Riboflavin 5'-(dihydrogen phosphate), sodium salt (1:1) | Riboflavin monophosphate monosodium salt | W-108348 | MFCD000

Especificaciones y pureza

PharmPure™, USP

Mecanismos bioquímicos y fisiológicos

El fosfato sódico de riboflavina actúa como coenzima en el metabolismo intermediario. La fosforilación de la vitamina B12 por la flavinquinasa genera FMN.

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Grado

PharmPure™, USP

Nombres e identificadores

• Pubchem Sid: 504769527
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769527
• Sonrisas canónicas: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)[O-])O)O)O.[Na+]
• IUPAC Name: sodium;[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
• InChIKey: OHSHFZJLPYLRIP-BMZHGHOISA-M
• INCHI: 1S/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/t11-,12+,14-;/m0./s1
• Isómeros SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O)O)O.[Na+]
• WGK Alemania: 3
• PubChem CID: 23666409
• Peso molecular: 478.33
• Beilstein: 4106529

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Flavin nucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Flavin nucleotides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavin nucleotides
• Alternative Parents: Flavins Quinoxalines Pyrimidones Alkyl phosphates Benzenoids Pyrazines Vinylogous amides Heteroaromatic compounds Lactams Secondary alcohols Azacyclic compounds Polyols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavin nucleotide - Flavin - Isoalloxazine - Diazanaphthalene - Quinoxaline - Pteridine - Pyrimidone - Phosphoric acid ester - Organic phosphoric acid derivative - Pyrazine - Pyrimidine - Benzenoid - Alkyl phosphate - Vinylogous amide - Heteroaromatic compound - Secondary alcohol - Lactam - Azacycle - Polyol - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic sodium salt - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

TST Tchem Thiosulfate sulfurtransferase (0 Activities)

Discover Target: TST

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: heat sensitive,light sensitive,Moisture sensitive
• Rotación específica [α]: 41 ° (C=1.5, 5mol/L HCl)
• Peso molecular: 478.300 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 478.087 Da
• Monoisotopic Mass: 478.087 Da
• Topological Polar Surface Area: 204.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 856.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

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2. Guangdong Sun, Xiuling He, Meilin Feng, Xia Xu, Jine Chen, Yongqiang Wang.  (2023)  Flavin mononucleotide in visible light photoinitiating systems for multiple-photocrosslinking and photoencapsulation strategies.  Acta Biomaterialia,      [PMID:37797710] [10.1016/j.actbio.2023.09.051]

3. Lei Jiafeng, Zhang Yaqin, Yao Yanxin, Shi Yang, Leung Ka Lok, Fan Jun, Lu Yi-Chun.  (2023)  An active and durable molecular catalyst for aqueous polysulfide-based redox flow batteries.  Nature Energy,      [PMID:] [10.1038/s41560-023-01370-0]

4. Gangying Feng, Shitong Zhang, Shuangling Zhong, Miao Tan, Yongyan Yang, Yueming Dou, Xuejun Cui.  (2021)  Temperature and pH dual-responsive supramolecular hydrogels based on riboflavin sodium phosphate and 2,6-Diaminopurine with thixotropic and fluorescent properties.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2021.127548]

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7. Jingyi Liu, Shuhua Han, Yongfeng Hu, Chih-Wen Pao.  (2021)  Fabrication and characterization of a novel PMO containing riboflavin-5'-phosphate sodium salt for sensitive detection of pesticide ferbam.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2021.126375]

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