ChemicalBook--->CAS DataBase List--->503068-34-6

503068-34-6

503068-34-6 Structure

503068-34-6 Structure
IdentificationBack Directory
[Name]

Vilanterol
[CAS]

503068-34-6
[Synonyms]

CS-1833
GW642444
GW-642444
GW 642444
Vianterol
Vilantero
Vilanterol
GW 642444X
Vilanterol API
Vilanterol base
Vilanterol(GW642444)
GW 642444X Vilanterol
Widely Used Vilanterol
4-[(R)-2-[[6-[2-(2,6-Dichlorobenzyloxy)ethoxy]hexyl]amino]-1-hydroxyethyl]-2-hydroxymethylphenol
4-{(1R)-2-[(6-{2-[(2,6-Dichlorobenzyl)oxy]ethoxy}hexyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol
1,3-Benzenedimethanol, α1-[[[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl]amino]methyl]-4-hydroxy-, (α1R)-
[EINECS(EC#)]

690-631-3
[Molecular Formula]

C24H33Cl2NO5
[MDL Number]

MFCD18782703
[MOL File]

503068-34-6.mol
[Molecular Weight]

486.43
Chemical PropertiesBack Directory
[Boiling point ]

646.7±55.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

solution in ethanol
[pka]

9.99±0.20(Predicted)
[color ]

Light yellow to yellow
[InChI]

InChI=1/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/s3
[InChIKey]

DAFYYTQWSAWIGS-FKEMPHOKNA-N
[SMILES]

C1(O)=CC=C([C@@H](O)CNCCCCCCOCCOCC2=C(Cl)C=CC=C2Cl)C=C1CO |&1:5,r|
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H411-H370
[Precautionary statements ]

P260-P264-P270-P307+P311-P321-P405-P501
Hazard InformationBack Directory
[Uses]

Vilanterol (GW642444) is a long-acting β2-adrenoceptor (β2-AR) agonist with 24 h activity. The pEC50s for β2-AR,β1-AR and β3-AR is 10.37±0.05, 6.98±0.03 and 7.36±0.03, respectively.
[Definition]

ChEBI: An dichlorobenzene derivative that is used in the form of its trifenate salt for treatment of chronic obstructive pulmonary disease.
[Biological Activity]

vilanterol is a novel and selective agonist of β2-ar with a pec50 value of 10.37±0.05 [1].vilanterol is a novel long-acting β2-ar agonist (laba) with 24h activity in development for inhaled once daily treatment. in the radioligand binding studies, vilanterol has shown the binding affinity in the one-affinity site model with pkd values of 9.44±0.07 and 10.82±0.12 in the presence gpp(nh)p and absence gpp(nh)p, respectively. in dissociation studies, vilanterol has been reported to bind from the β2-ar with a dissociation t1/2 value of 3.5 min in the presence of gpp(nh)p. vilanterol has been found to have a good selectivity for β2-ar over the other β-ar receptor subtypes(β1and β3) with pec50 values of 10.37±0.05, 6.98±0.03 and 7.36±0.03, respectively. vilanterol has exhibited at least 1000-fold selectivity over both β1-and β3-ar subtypes [1].
[IC 50]

β adrenergic receptor
[storage]

Store at -20°C
[References]

[1] slack rj1, barrett vj, morrison vs, sturton rg, emmons aj, ford aj, knowles rg.in vitro pharmacological characterization of vilanterol, a novel long-acting β2-adrenoceptor agonist with 24-hour duration of action.j pharmacol exp ther. 2013 jan; 344(1):218-30.
Spectrum DetailBack Directory
[Spectrum Detail]

Vilanterol(503068-34-6)1HNMR
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