6,7-Dimethyl-8-ribityllumazine - Moligand™,≥95% , CAS No.2535-20-8

CAS: 2535-20-8 Cat. No.: D1055311 Peso molecular: 326.31 PubChem CID: 168989

GRADE & PURITY Moligand™, ≥95%

Synonyms

6,7-Dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,3,4,8-tetrahydropteridine-2,4-dione

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Product Introduction: 6,7-Dimethyl-8-ribityllumazine is a fully characterized precursor for riboflavin (RBF) biosynthesis. It exists as a non-covalent fluorescent group in the lumazine protein (LumP). LumP is an endogenous fluorescent accessory protein, and thus 6,7-Dimethyl-8-ribityllumazine is widely used in riboflavin biosynthesis, protein-ligand interactions, fluorescence-based analytical methods, and metabolic pathway reconstruction studies.

Specifications

Sinónimos

6, 7-Dimethyl-8-[(2S, 3S, 4R)-2, 3, 4, 5-tetrahydroxypentyl]-2, 3, 4, 8-tetrahydropteridine-2, 4-dione

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)C
• IUPAC Name: 6,7-dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-dione
• InChIKey: SXDXRJZUAJBNFL-XKSSXDPKSA-N
• INCHI: 1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1
• Isómeros SMILES: CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C
• PubChem CID: 168989
• Peso molecular: 326.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pteridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pteridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pteridines and derivatives
• Alternative Parents: Pyrimidones Pyrazines Vinylogous amides Heteroaromatic compounds Secondary alcohols Lactams Polyols Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pteridine - Pyrimidone - Pyrazine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Secondary alcohol - Polyol - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
• External Descriptors: pteridines

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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 326.310 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 326.123 Da
• Monoisotopic Mass: 326.123 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 626.000
• 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: 1