ChemicalBook--->CAS DataBase List--->1699717-32-2

1699717-32-2

1699717-32-2 Structure

1699717-32-2 Structure
IdentificationBack Directory
[Name]

BAY-545
[CAS]

1699717-32-2
[Synonyms]

BAY-545
BAY-545;BAY545;BAY 545;1699717-32-2
Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-ethyl-6-[(4-hydroxy-1-piperidinyl)carbonyl]-5-methyl-1-(3,3,3-trifluoropropyl)-
[Molecular Formula]

C18H22F3N3O4S
[MDL Number]

MFCD32062683
[MOL File]

1699717-32-2.mol
[Molecular Weight]

433.45
Chemical PropertiesBack Directory
[Boiling point ]

598.7±60.0 °C(Predicted)
[density ]

1.410±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:129.0(Max Conc. mg/mL);297.61(Max Conc. mM)
Ethanol:87.0(Max Conc. mg/mL);200.72(Max Conc. mM)
[form ]

A solid
[pka]

14.56±0.20(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

BAY-545 is a potent and selective A2B adenosine receptor antagonist, with an IC50 of 59 nM. BAY-545 also exhibits IC50s of 66, 400, 280 nM for human, mouse, rat A2B adenosine receptor in cells, respectively, and a Ki of 97 nM for human A2B adenosine receptor, with more selectivity over A1, A2A, and A3 adenosine receptor[1].
[storage]

Store at -20°C
[References]

[1] H?rter M, et al. Novel non-xanthine antagonist of the A2B adenosine receptor: From HTS hit to lead structure. Eur J Med Chem. 2019 Feb 1;163:763-778. DOI:10.1016/j.ejmech.2018.11.045
Spectrum DetailBack Directory
[Spectrum Detail]

BAY-545(1699717-32-2)1HNMR
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