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

CAS: 1086-80-2 Cat. No.: D155167 Formula: C₁₂H₁₀N₄O₂ Peso molecolare: 242.24 Numero 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

Panoramica

7,8-Dimethylalloxazine is a flourescent photoproduct of riboflavin degradation.

Specifications

Sinonimi

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-

Specifiche e purezza

≥95%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

ACTIVATOR

Purezza

≥95%(HPLC)

Nomi e identificatori

• Pubchem Sid: 504763625
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763625
• Sorrisi canonici: 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)
• Isomeri SMILES: CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3
• Peso molecolare: 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
    • Classe Pteridines and derivatives
      • Subclass Alloxazines and isoalloxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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

Riferimenti

1. Siyu Hou, Xiya Peng, Qin Yu, Shufang Gao, Lu Li, Jian Luo.  (2025)  Strong Microbasicity in PVA/ChCl Eutectogels Induced by a Large Population of Bound Water.  JOURNAL OF PHYSICAL CHEMISTRY B,      [PMID:40926318] [10.1021/acs.jpcb.5c04668]

2. Zhuo Li, Zixin Huo, Shanshan Yao, Xianmeng Liang, Yiran Zhao, Yanxin Wang, Shifeng Guo, Caihuan Ke, Pei Su, Danqing Feng.  (2025)  Intertidal Warfare: Synergistic Allelopathy Mediates Spatial Competition between Two Marine Calcareous-Shelled Sessile Organisms.  Advanced Science,      [PMID:41355076] [10.1002/advs.202512644]

Domande frequenti

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.