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

CAS: 2535-20-8 Cat. No.: D1055311 Molecular Weight: 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

Overview

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

Synonyms

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

Specifications & Purity

Moligand™, ≥95%

Storage

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 326.31

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 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