L-748,337 - Moligand™, ≥98%(HPLC) , Antagonist of β 3-adrenoceptor, CAS No.244192-94-7, Antagonist of β 3-adrenoceptor

CAS: 244192-94-7 Cat. No.: L287872 Fórmula: C₂₆H₃₁N₃O₅S Peso molecular: 497.61

GRAU & PUREZA Moligand™, ≥98%(HPLC)

Synonyms

N-[[3-[(2S)-3-[2-[4-(benzenesulfonamido)phenyl]ethylamino]-2-hydroxypropoxy]phenyl]methyl]acetamide|L 748,337|N-[[3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]phenyl]methyl]acetamide|L 748337|L-748,337 is known as a selective beta3-adrenergic receptor antagonist.|N-[[3-[(2S)-2-HYDROXY-3-[[2-[4-[(PHENYLSULFONYL)AMINO]PHENYL]ETHYL]AMINO]PROPOXY]PHENYL]METHYL]-ACETAMIDE|(S)-N-(4-(2-(3-(3-(acetamidomethyl)phenoxy)-2-hydroxypropyl)amino)ethyl)phenylbenzenesulfoamide|L-748,337|L-748337

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

N-[[3-[(2S)-3-[2-[4-(benzenesulfonamido)phenyl]ethylamino]-2-hydroxypropoxy]phenyl]methyl]acetamide | L 748,337 | N-[[3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]phenyl]methyl]acetamide | L 748337 | L-748,337 is known as a selective beta3-adrenergic receptor antagonist. | N-[[3-[(2S)-2-HYDROXY-3-[[2-[4-[(PHENY Show more

Especificações e pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Competitiveβ3-adrenoceptor antagonist that displays selectivity overβ1andβ2receptors (Kivalues are 4.0, 204 and 390 nM forβ3-,β2- andβ1-adrenoceptors respectively). Inhibits cAMP accumulation in response to isoproterenol (IC50= 6 nM). Reduces iNOS express

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of β 3-adrenoceptor

Pureza

≥98%(HPLC)

Nomes e identificadores

Sorrisos canónicos

CC(=O)NCC1=CC(=CC=C1)OCC(CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O

IUPAC Name

N-[[3-[(2S)-3-[2-[4-(benzenesulfonamido)phenyl]ethylamino]-2-hydroxypropoxy]phenyl]methyl]acetamide

InChIKey

AWIONHVPTYTSHZ-DEOSSOPVSA-N

INCHI

1S/C26H31N3O5S/c1-20(30)28-17-22-6-5-7-25(16-22)34-19-24(31)18-27-15-14-21-10-12-23(13-11-21)29-35(32,33)26-8-3-2-4-9-26/h2-13,16,24,27,29,31H,14-15,17-19H2,1H3,(H,28,30)/t24-/m0/s1

SMILES isoméricas

CC(=O)NCC1=CC(=CC=C1)OC[C@H](CNCCC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)O

Peso molecular

497.61

Reaxy-Rn

31292306

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31292306&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Phenethylamines Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Organosulfonamides Acetamides Aminosulfonyl compounds Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Phenethylamine - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Organosulfonic acid amide - Acetamide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Alcohol - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (humanos)

ADRB3 Tclin Beta-3 adrenergic receptor (2 Activities)

Discover Target: ADRB3

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

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

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

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

Discover Target: ADRB1

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

ADRB3 Tclin Beta-3 adrenergic receptor (5850 Activities)

Discover Target: ADRB3

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 49.76, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.98, Max Conc. mM: 10
• Sensibilidade: Moisture sensitive
• Peso molecular: 497.600 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 497.198 Da
• Monoisotopic Mass: 497.198 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 715.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1