7,8-Dimetilaloxazina - ≥95%(HPLC) , CAS No.1086-80-2

CAS: 1086-80-2 Cat. No.: D155167 Fórmula: C₁₂H₁₀N₄O₂ Peso molecular: 242.24 Número EC: 214-120-8

GRADE & PURITY ≥95%(HPLC)

Synonyms

7,8-dimethyl-1H-benzo[g]pteridine-2,4-quinone | 99U1UDJ2HM | 113-59-7 (free base) | 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione | LUM | 7,8-DIMETHYLBENZO(G)PTERIDINE-2,4-(1H,3H)-DIONE | 7,8-Dimethylbenzo(g)pteridine-2,4(1H,3H)-dione | 7,8-dimethyl-1H-

Storage

Room temperature

Shipped In

Normal

Descripción general

la 7,8-Dimetilaloxazina es un fotoproducto fluorescente de la degradación de la riboflavina.

Specifications

Sinónimos

7,8-dimethyl-1H-benzo[g]pteridine-2,4-quinone | 99U1UDJ2HM | 113-59-7 (free base) | 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione | LUM | 7,8-DIMETHYLBENZO(G)PTERIDINE-2,4-(1H,3H)-DIONE | 7,8-Dimethylbenzo(g)pteridine-2,4(1H,3H)-dione | 7,8-dimethyl-1H-

Especificaciones y pureza

≥95%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

ACTIVATOR

Pureza

≥95%(HPLC)

Nombres e identificadores

Pubchem Sid

504763625

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763625

Sonrisas canónicas

CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3

IUPAC Name

7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione

InChIKey

ZJTJUVIJVLLGSP-UHFFFAOYSA-N

INCHI

1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)

Isómeros SMILES

CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3

Peso molecular

242.24

Reaxy-Rn

226631

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=226631&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pteridines and derivatives
      • Subclass Alloxazines and isoalloxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pteridines and derivatives
• Subclass: Alloxazines and isoalloxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavins
• Alternative Parents: Quinoxalines Pyrimidones Pyrazines Benzenoids Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavin - Diazanaphthalene - Quinoxaline - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring.
• External Descriptors: a small molecule

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 (no humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Klebsiella pneumoniae (43867 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Acinetobacter baumannii (41033 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cryptococcus neoformans (21258 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 242.230 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 242.08 Da
• Monoisotopic Mass: 242.08 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1086-80-2, the molecular formula is C12H10N4O2, and the molecular weight is 242.24 g/mol. InChIKey ZJTJUVIJVLLGSP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.