NIHP - Moligand™ , Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor, CAS No.N612300, Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor

CAS: N612300 Cat. No.: N612300 PubChem CID: 10587912

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor

Nombres e identificadores

• Sonrisas canónicas: OCCCc1ccc(cc1)OCC(CNC(C)C)O
• IUPAC Name: 1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
• InChIKey: RUZBBQNQBDCLPE-UHFFFAOYSA-N
• INCHI: 1S/C15H25NO3/c1-12(2)16-10-14(18)11-19-15-7-5-13(6-8-15)4-3-9-17/h5-8,12,14,16-18H,3-4,9-11H2,1-2H3
• Isómeros SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCCO)O
• PubChem CID: 10587912

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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

Objetivos asociados (humanos)

ADRB2 Tclin Beta-2 adrenergic receptor (1 Activities)

Discover Target: ADRB2

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

ADRB1 Tclin Beta-1 adrenergic receptor (1 Activities)

Discover Target: ADRB1

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