ChemicalBook--->CAS DataBase List--->53671-71-9

53671-71-9

53671-71-9 Structure

53671-71-9 Structure
IdentificationBack Directory
[Name]

ICI 89406
[CAS]

53671-71-9
[Synonyms]

C025716
ICI 89406
N-[2-[3-(2-CYANOPHENOXY)-2-HYDROXYPROPYLAMINO]ETHYL]-N'-PHENYLUREA
Urea, N-(2-((3-(2-cyanophenoxy)-2-hydroxypropyl)amino)ethyl)-N'-phenyl-
[Molecular Formula]

C19H22N4O3
[MDL Number]

MFCD00673934
[MOL File]

53671-71-9.mol
[Molecular Weight]

354.4
Chemical PropertiesBack Directory
[Melting point ]

155-156 °C(Solv: acetonitrile (75-05-8))
[Boiling point ]

575.0±50.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

Store at RT
[solubility ]

Soluble in ethanol and to 100 mM in DMSO
[form ]

Powder
[pka]

12.29±0.46(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

ICI 89406 is beta-1-selective antagonist.
[Definition]

ChEBI: 1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea is a member of ureas.
[Biological Activity]

β -adrenergic antagonist and low efficacy partial agonist; does not affect resting cardiac parameters.
[in vivo]

Animal Model:Rats[2].
Dosage:0.6, 5 or 50 mg/kg.
Administration:Orally (5 or 50 mg/kg), i.p. (5 mg/kg), i.v. 0.6 (0.6 mg/kg) (Pharmacokinetic Analysis).
Result:Following oral administration, the dose of 5 mg/kg urinary and faecal excretion accounted for 5.8 + 0.7% and 96.4 + 2.1%. The dose of 50 mg/kg urinary and faecal excretion accounted for 14.0 + 4.0% and 78.4 + 2.4%. The proportions of unchanged drug and metabolites in urine were independent of the dose. The unchanged drug accounted for 81.6% of the faecal components after a dose of 5 mg/kg but this was reduced to 47.8%.
[storage]

Store at RT
Spectrum DetailBack Directory
[Spectrum Detail]

ICI 89406(53671-71-9)1HNMR
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