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2894848-07-6

2894848-07-6 Structure

2894848-07-6 Structure
IdentificationBack Directory
[Name]

2,4(1H,3H)-Pyrimidinedione, 1-[[5-(2,4-difluoro-3-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-3-ethyl-5-methyl-
[CAS]

2894848-07-6
[Synonyms]

2,4(1H,3H)-Pyrimidinedione, 1-[[5-(2,4-difluoro-3-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-3-ethyl-5-methyl-
[Molecular Formula]

C16H14F2N4O3S
[MOL File]

2894848-07-6.mol
[Molecular Weight]

380.37
Chemical PropertiesBack Directory
[Boiling point ]

523.3±60.0 °C(Predicted)
[density ]

1.481±0.06 g/cm3(Predicted)
[solubility ]

DMSO: Sparingly Soluble: 1-10 mg/ml
[form ]

Solid
[pka]

6.38±0.15(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

BI 3231 is a potent and selective hydroxysteroid 17?-dehydrogenase 13 (HSD17B13) inhibitor, with IC50s of 1 and 13 nM for hHSD17B13 and mHSD17B13, respectively. BI 3231 has the potential for the research of nonalcoholic steatohepatitis (NASH) and other liver diseases[1].
[in vivo]

BI 3231 is rapidly cleared from plasma, considerable hepatic exposure was maintained over 48 h[1].

[References]

[1] Thamm S, et, al. Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science. J Med Chem. 2023 Feb 2. DOI:10.1021/acs.jmedchem.2c01884
Spectrum DetailBack Directory
[Spectrum Detail]

2,4(1H,3H)-Pyrimidinedione, 1-[[5-(2,4-difluoro-3-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-3-ethyl-5-methyl-(2894848-07-6)1HNMR
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