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264622-58-4

264622-58-4 Structure

264622-58-4 Structure
IdentificationBack Directory
[Name]

8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine hydrate
[CAS]

264622-58-4
[Synonyms]

MRS 1754 hydrate
MRS1754;MRS-1754;MRS 1754
N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine hydrate
N-(4-Cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy)acetamide
N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetaMide
AcetaMide,N-(4-cyanophenyl)-2-[4-(2,3,6,9-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]-
AcetaMide, N-(4-cyanophenyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]-
[Molecular Formula]

C26H26N6O4
[MDL Number]

MFCD09971130
[MOL File]

264622-58-4.mol
[Molecular Weight]

486.52
Chemical PropertiesBack Directory
[density ]

1.38±0.1 g/cm3(Predicted)
[storage temp. ]

room temp
[solubility ]

DMSO: soluble >10mg/mL
[form ]

solid
[pka]

8.24±0.70(Predicted)
[color ]

off-white
[InChIKey]

ZACJDWOPQROWIK-UHFFFAOYSA-N
[SMILES]

O.CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)-c3ccc(OCC(=O)Nc4ccc(cc4)C#N)cc3
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

MRS 1754 acts as an adenosine receptor antagonist which displays bronchospasmolytic activity, applicable to treatments involving respiratory disorders.
[Definition]

ChEBI: N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide is an oxopurine.
[Biological Activity]

Selective adenosine A 2B receptor antagonist (K i values are 1.97, 16.8, 403, 503, 570 and 612 nM for hA 2B , rA 1 , hA 1 , hA 2A , hA 3 and rA 2A receptors respectively).
[Biochem/physiol Actions]

MRS 1754 hydrate is a p-cyanoanilide xanthine derivative. It might act as a potential anti-asthmatic drug.
[storage]

Desiccate at RT
Spectrum DetailBack Directory
[Spectrum Detail]

8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine hydrate(264622-58-4)1HNMR
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