SB251023 - Moligand™ , Agonist of β 3-adrenoceptor, CAS No.208842-53-9, Agonist of β 3-adrenoceptor

CAS: 208842-53-9 Cat. No.: S613451 PubChem CID: 9958026

GRADE & PURITY Moligand™

Synonyms

SB-251023

Storage

Room temperature

Specifications

Synonyms

SB-251023

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of β 3-adrenoceptor

Names and Identifiers

• Canonical Smiles: O[C@H](COc1ccc(cc1)O)CNC1(CCCC1)Cc1ccc(cc1)OCP(=O)(c1ccccc1)O
• IUPAC Name: {4-[(1-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}cyclopentyl)methyl]phenoxymethyl}(phenyl)phosphinic acid
• InChIKey: MKEFUSOCGOBQMJ-DEOSSOPVSA-N
• INCHI: 1S/C28H34NO6P/c30-23-10-14-25(15-11-23)34-20-24(31)19-29-28(16-4-5-17-28)18-22-8-12-26(13-9-22)35-21-36(32,33)27-6-2-1-3-7-27/h1-3,6-15,24,29-31H,4-5,16-21H2,(H,32,33)/t24-/m0/s1
• Isomeric SMILES: C1CCC(C1)(CC2=CC=C(C=C2)OCP(=O)(C3=CC=CC=C3)O)NC[C@@H](COC4=CC=C(C=C4)O)O
• PubChem CID: 9958026

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Organic oxide - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the 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

Associated Targets(Human)

ADRB3 Tclin Beta-3 adrenergic receptor (1 Activities)

Discover Target: ADRB3

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