L748328 - Moligand™ , Antagonist of β 3-adrenoceptor, CAS No.244192-93-6, Antagonist of β 3-adrenoceptor

CAS: 244192-93-6 Cat. No.: L611411 PubChem CID: 10323892

GRADE & PURITY Moligand™

Synonyms

3-[(2S)-3-[2-[4-(benzenesulfonamido)phenyl]ethylamino]-2-hydroxypropoxy]benzenesulfonamide | GTPL3463 | WTB7K8ZCW6 | 3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]benzenesulfonamide | L748328 | L-748328 | 3-((2S)-2-Hydroxy-3-(2-

Storage

Room temperature

Specifications

Synonyms

3-[(2S)-3-[2-[4-(benzenesulfonamido)phenyl]ethylamino]-2-hydroxypropoxy]benzenesulfonamide | GTPL3463 | WTB7K8ZCW6 | 3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]benzenesulfonamide | L748328 | L-748328 | 3-((2S)-2-Hydroxy-3-(2-

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of β 3-adrenoceptor

Names and Identifiers

• Canonical Smiles: O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1
• IUPAC Name: 3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]benzenesulfonamide
• InChIKey: CVPJSQZQNBKALR-FQEVSTJZSA-N
• INCHI: 1S/C23H27N3O6S2/c24-33(28,29)23-8-4-5-21(15-23)32-17-20(27)16-25-14-13-18-9-11-19(12-10-18)26-34(30,31)22-6-2-1-3-7-22/h1-12,15,20,25-27H,13-14,16-17H2,(H2,24,28,29)/t20-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CCNC[C@@H](COC3=CC(=CC=C3)S(=O)(=O)N)O
• PubChem CID: 10323892

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Phenethylamines Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Phenethylamine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic oxide - Amine - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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)