SR 58611A hydrochloride - ≥98%(HPLC) , Beta-3 adrenergic receptor agonist, CAS No.121524-09-2, Beta-3 adrenergic receptor agonist

CAS: 121524-09-2 Cat. No.: S286787 Peso molecular: 440.36 Número EC: 685-404-0 PubChem CID: 121888

GRADE & PURITY ≥98%(HPLC)

Synonyms

UNII-N910CJ679E | BDBM50212977 | Acetic acid, [[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, hydrochloride (1:1) | Amibegron hydrochloride | MS-27908 | Acetic acid, ((7-((2-(3-chlorophenyl)-2

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Amibegron hydrochloride is a selective β3-adrenoceptor agonist, with an EC50 of 3.5 nM for β-adrenoceptor in rat colon; Amibegron hydrochloride has anxiolytic and antidepressant activity.

Specifications

Sinónimos

UNII-N910CJ679E | BDBM50212977 | Acetic acid, [[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5, 6, 7, 8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, hydrochloride (1:1) | Amibegron hydrochloride | MS-27908 | Acetic acid, ((7-((2-(3-chlorophenyl)-2

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Selectiveβ3-adrenergic receptor agonist. Displays both anxiolytic and antidepressant effects in rodent models.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Mecanismo de acción

Beta-3 adrenergic receptor agonist

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)COC1=CC2=C(CCC(C2)NCC(C3=CC(=CC=C3)Cl)O)C=C1.Cl
• IUPAC Name: ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
• InChIKey: NQIZCDQCNYCVAS-RQBPZYBGSA-N
• INCHI: 1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
• Isómeros SMILES: CCOC(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=CC=C3)Cl)O)C=C1.Cl
• WGK Alemania: 3
• PubChem CID: 121888
• Peso molecular: 440.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Tetralins Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Hydrochlorides Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenoxyacetate - Tetralin - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aralkylamine - Aryl halide - Aryl chloride - Carboxylic acid ester - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Secondary aliphatic amine - Ether - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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)

ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

Discover Target: ADRB1

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 44.04, Max Conc. mM: 100
• Sensibilidad: Moisture sensitive
• Peso molecular: 440.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 439.132 Da
• Monoisotopic Mass: 439.132 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3