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33017-85-5

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33017-85-5 Structure

33017-85-5 Structure
IdentificationBack Directory
[Name]

6-chloro-2-mercaptoquinazolin-4(3H)-one
[CAS]

33017-85-5
[Synonyms]

6-chloro-2-mercaptoquinazolin-4(3H)-one
6-chloro-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
6-Chloro-2,3-dihydro-2-thioxo-4(1H)-quinazolinone
[Molecular Formula]

C8H5ClN2OS
[MDL Number]

MFCD00631491
[MOL File]

33017-85-5.mol
[Molecular Weight]

212.66
Chemical PropertiesBack Directory
[Melting point ]

335 °C
[density ]

1.60±0.1 g/cm3(Predicted)
[pka]

8.16±0.20(Predicted)
Hazard InformationBack Directory
[Uses]

SMase-IN-1 (Compound 4) is a bacterial sphingomyelinase enzyme (SMase) inhibitor (IC50 value for B. cereus SMase is 6.43 μM). SMase-IN-1 also inhibits eqBuChE (59.50% inhibition rate at 50 μM concentration). SMase-IN-1 forms a complex with Cu2+ in biometal interactions. SMase-IN-1 reduces B. cereus-induced hemolysis on sheep erythrocytes[1].
[References]

[1] Ozturk OK, et al. Quinazoline derivatives as novel bacterial sphingomyelinase enzyme inhibitors. Bioorg Chem. 2025 Jan;154:108079. DOI:10.1016/j.bioorg.2024.108079
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