Arbutamine - ≥98% , CAS No.128470-16-6

CAS: 128470-16-6 Cat. No.: A650921 Molecular Weight: 317.38 PubChem CID: 60789

GRADE & PURITY ≥98%

Synonyms

B07L15YAEV | ARBUTAMINE | Arbutaminum | 1,2-BENZENEDIOL, 4-(1-HYDROXY-2-((4-(4-HYDROXYPHENYL)BUTYL)AMINO)ETHYL)-, (1R) | 4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol | CHEBI:50580 | DB01102 | ARBUTAMINE [INN] | Arbutaminum [

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Arbutamine is a short-acting, potent and nonselective β-adrenoceptor agonist. Arbutamine stimulates cardiac β 1 -, tracheal β 2 -, and adiopocyte β 3 - adrenergic receptors. Arbutamine provides cardiac stress increases heart rate, cardiac contractility, and systolic blood pressure. Arbutamine can be used for cardiac stress agent

In Vitro

Arbutamine (0.1-100 nM) increases heart contractile force and pD 2 value of 8.45. Arbutamine has the affinity constants (KA) value of 7.32 for cardiac β 1 -adrenergic receptors. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Arbutamine (i.v.; 5, 10, 50, 100, and 250 ng/kg/min) increases mean heart rate, peak positive left ventricular pressure and its first time-derivative, and normal-zone myocardial thickening in 8 open-chest dogs (mean weight, 26.91 kg). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:β-adrenoceptor

Specifications

Synonyms

B07L15YAEV | ARBUTAMINE | Arbutaminum | 1, 2-BENZENEDIOL, 4-(1-HYDROXY-2-((4-(4-HYDROXYPHENYL)BUTYL)AMINO)ETHYL)-, (1R) | 4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1, 2-diol | CHEBI:50580 | DB01102 | ARBUTAMINE [INN] | Arbutaminum [

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Arbutamine is a short-acting, potent and nonselective β-adrenoceptor agonist. Arbutamine stimulates cardiac β 1 -, tracheal β 2 -, and adiopocyte β 3 - adrenergic receptors. Arbutamine provides cardiac stress increases heart rate, cardiac contractility, a

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CCCCNCC(C2=CC(=C(C=C2)O)O)O)O
• IUPAC Name: 4-[(1R)-1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol
• InChIKey: IIRWWTKISYTTBL-SFHVURJKSA-N
• INCHI: 1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/t18-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1CCCCNC[C@@H](C2=CC(=C(C=C2)O)O)O)O
• PubChem CID: 60789
• Molecular Weight: 317.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Catechols 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: Phenylbutylamine - Catechol - 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 phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• External Descriptors: catecholamine

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

Chemical and Physical Properties

• Molecular Weight: 317.400 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 317.163 Da
• Monoisotopic Mass: 317.163 Da
• Topological Polar Surface Area: 93.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 320.000
• 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