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303985-05-9

303985-05-9 Structure

303985-05-9 Structure
IdentificationBack Directory
[Name]

2-[(2-CHLOROBENZYL)SULFANYL]-4-HYDROXY-6-PHENYL-5-PYRIMIDINECARBONITRILE
[CAS]

303985-05-9
[Synonyms]

BET-IN-7
2-[(2-CHLOROBENZYL)SULFANYL]-4-HYDROXY-6-PHENYL-5-PYRIMIDINECARBONITRILE
5-Pyrimidinecarbonitrile, 2-[[(2-chlorophenyl)methyl]thio]-1,6-dihydro-6-oxo-4-phenyl-
[Molecular Formula]

C18H12ClN3OS
[MDL Number]

MFCD00975818
[MOL File]

303985-05-9.mol
[Molecular Weight]

353.83
Chemical PropertiesBack Directory
[Boiling point ]

512.9±60.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3(Predicted)
[pka]

4.66±0.50(Predicted)
Hazard InformationBack Directory
[Uses]

BET-IN-7 (Compound 1) is a potent inhibitor of BET with a Ki and Kd of 12.27 and 89.3 μM, respectively. BET-IN-7 has the potential for the research of sepsis[1].
[References]

[1] Chen X, et al. Discovery of 2-((2-methylbenzyl)thio)-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carbonitrile as a novel and effective bromodomain and extra-terminal (BET) inhibitor for the treatment of sepsis. Eur J Med Chem. 2022 May 8;238: DOI:10.1016/j.ejmech.2022.114423
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