Fenoterol - Moligand™, ≥98% , 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.: F413327 Molecular Weight: 303.35 EC Number: 680-817-2

GRADE & PURITY Moligand™, ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Fenoterol (Phenoterol) is aβ2 adrenoreceptoragonist with bronchodilator activity.

Targets

β2 adrenoreceptor

Specifications

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

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

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

Purity

≥98%

Product Properties

• ALogP: 2.413
• HBD Count: 5
• Rotatable Bond: 6

Names and Identifiers

• Pubchem Sid: 504750662
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750662
• Canonical Smiles: 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
• Isomeric SMILES: CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O
• Alternate CAS: 13392-18-2,1944-12-3 (hydrobromide)
• MeSH Entry Terms: 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
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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)

ADRB3 Tclin Beta-3 adrenergic receptor (0 Activities)

Discover Target: ADRB3

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

ADRB1 Tclin Beta-1 adrenergic receptor (0 Activities)

Discover Target: ADRB1

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

Chemical and Physical Properties

• Solubility: Insoluble in water;61 mg/mL(201.08 mM) in ethanol and DMSO
• DMSO(mg / mL) Max Solubility: 61
• DMSO(mM) Max Solubility: 201.087852315807
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 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

References

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]