AS408 - Moligand™ , Allosteric modulator of β 2-adrenoceptor, CAS No.A607759, Allosteric modulator of β 2-adrenoceptor

CAS: A607759 Cat. No.: A607759 PubChem CID: 145998261

GRADE & PURITY Moligand™

Synonyms

6-bromo-N~2~-phenylquinazoline-2,4-diamine|6-Bromo-N2-phenylquinazoline-2,4-diamine|6-bromo-2-N-phenylquinazoline-2,4-diamine|2378521-26-5|CHEMBL4869271|AS408|SCHEMBL21497084|GTPL11074|BDBM50569875|EN300-28305167|M3J

Storage

Room temperature

Specifications

Synonyms

6-bromo-N~2~-phenylquinazoline-2, 4-diamine | 6-Bromo-N2-phenylquinazoline-2, 4-diamine | 6-bromo-2-N-phenylquinazoline-2, 4-diamine | 2378521-26-5 | CHEMBL4869271 | AS408 | SCHEMBL21497084 | GTPL11074 | BDBM50569875 | EN300-28305167 | M3J

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of β 2-adrenoceptor

Names and Identifiers

• Canonical Smiles: Brc1ccc2c(c1)c(N)nc(n2)Nc1ccccc1
• IUPAC Name: 6-bromo-2-N-phenylquinazoline-2,4-diamine
• InChIKey: MPGNABXYXOGUGH-UHFFFAOYSA-N
• INCHI: 1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19)
• Isomeric SMILES: C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)Br)C(=N2)N
• PubChem CID: 145998261

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Secondary amines Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Aniline or substituted anilines - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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)

ADRB2 Tclin Beta-2 adrenergic receptor (0 Activities)

Discover Target: ADRB2

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

Mechanisms of Action