Fenoterol - Moligand™, 10mM in DMSO , Agonist of β 1-adrenoceptor;Agonist of β 2-adrenoceptor;Agonist of β 3-adrenoceptor, CAS No.13392-18-2, Agonist of β 1-adrenoceptor;Agonist of β 2-adrenoceptor;Agonist of β 3-adrenoceptor

CAS: 13392-18-2 Cat. No.: F421287 Peso molecular: 303.35 Número EC: 680-817-2

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

HY-B0976 | KBio2_001726 | 1-(p-Hydroxyphenyl)-2-((.beta.-hydroxy-.beta.-(3',5'-dihydroxyphenyl))ethyl)aminopropane | 3,5-Dihydroxy-.alpha.-(((p-hydroxy-.alpha.-methylphenethyl)amino)methyl)benzyl alcohol | Spectrum_001246 | SPBio_002403 | KBio2_004294 | T

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

Fenoterol (Phenoterol) is aβ2 adrenoreceptoragonist with bronchodilator activity.

Targets

β2 adrenoreceptor

Specifications

Sinónimos

HY-B0976 | KBio2_001726 | 1-(p-Hydroxyphenyl)-2-((.beta.-hydroxy-.beta.-(3', 5'-dihydroxyphenyl))ethyl)aminopropane | 3, 5-Dihydroxy-.alpha.-(((p-hydroxy-.alpha.-methylphenethyl)amino)methyl)benzyl alcohol | Spectrum_001246 | SPBio_002403 | KBio2_004294 | T

Especificaciones y pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Fenoterol (Phenoterol) is a β2 adrenoreceptor agonist with bronchodilator activity.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of β 1-adrenoceptor;Agonist of β 2-adrenoceptor;Agonist of β 3-adrenoceptor

Propiedades del producto

• ALogP: 2.413
• Recuento HBD: 5
• Enlace rotable: 6

Nombres e identificadores

• Sonrisas canónicas: CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O
• IUPAC Name: 5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
• InChIKey: LSLYOANBFKQKPT-UHFFFAOYSA-N
• INCHI: 1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
• Isómeros SMILES: CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O
• CAS alternativo: 13392-18-2,1944-12-3 (hydrobromide)
• Términos de entrada MeSH: Berotec;Berotek;Fenoterol;Fenoterol Hydrobromide;Fenoterol Hydrochloride;Hydrochloride, Fenoterol;p Hydroxyphenyl orciprenaline;p Hydroxyphenylorciprenaline;p-Hydroxyphenyl-orciprenaline;p-Hydroxyphenylorciprenaline;Partusisten;Phenoterol;Th 1165a;Th-1165
• Peso molecular: 303.35
• Reaxy-Rn: 2157041
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2157041&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Phenylpropanes Resorcinols Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Phenylpropane - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic alcohol - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• External Descriptors: secondary alcohol - secondary amino compound - resorcinols

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 (2 Activities)

Discover Target: ADRB2

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

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 61
• DMSO (mM) Solubilidad máxima: 201.087852315807
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 303.350 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 303.147 Da
• Monoisotopic Mass: 303.147 Da
• Topological Polar Surface Area: 93.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Shuying Yang, Ruixi Yang, Jingyi He, Yu Zhang, Yahong Yuan, Tianli Yue, Qinglin Sheng.  (2023)  Au Nanoparticles Functionalized Covalent-Organic-Framework-Based Electrochemical Sensor for Sensitive Detection of Ractopamine.  Foods,  12  (4): (842).  [PMID:36832917] [10.3390/foods12040842]