2-butylpyrazolo[1,5-a]quinoxalin-4-amine - Moligand™ , Antagonist of TLR7, CAS No.B608626, Antagonist of TLR7

CAS: B608626 Cat. No.: B608626 PubChem CID: 139030521

GRADE & PURITY Moligand™

Synonyms

compound 10a

Storage

Room temperature

Specifications

Synonyms

compound 10a

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of TLR7

Names and Identifiers

• Canonical Smiles: CCCCc1nn2c(c1)c(N)nc1c2cccc1
• IUPAC Name: 2-butylpyrazolo[1,5-a]quinoxalin-4-amine
• InChIKey: YMNPLUINBRDMEW-UHFFFAOYSA-N
• INCHI: 1S/C14H16N4/c1-2-3-6-10-9-13-14(15)16-11-7-4-5-8-12(11)18(13)17-10/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16)
• Isomeric SMILES: CCCCC1=NN2C3=CC=CC=C3N=C(C2=C1)N
• PubChem CID: 139030521

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazines Imidolactams Benzenoids Heteroaromatic compounds Azoles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Imidolactam - Benzenoid - Pyrazine - Heteroaromatic compound - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

Associated Targets(Human)

TLR7 Tclin Toll-like receptor 7 (0 Activities)

Discover Target: TLR7

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

Associated Targets(non-human)

Tlr7 Toll-like receptor 7 (174 Activities)

Discover Target: Tlr7

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

Mechanisms of Action