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50566-97-7

50566-97-7 Structure

50566-97-7 Structure
IdentificationBack Directory
[Name]

Ethanesulfonic acid, 2,2′-[1,2,5,6-tetrathiocane-3,8-diylbis(methyleneoxy)]bis-
[CAS]

50566-97-7
[Synonyms]

Ethanesulfonic acid, 2,2′-[1,2,5,6-tetrathiocane-3,8-diylbis(methyleneoxy)]bis-
[Molecular Formula]

C10H20O8S6
[MOL File]

50566-97-7.mol
[Molecular Weight]

460.66
Chemical PropertiesBack Directory
[density ]

1.546±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[pka]

1.03±0.50(predicted)
Hazard InformationBack Directory
[Uses]

TST1N-224 is a potent response regulator VraRC inhibitor. TST1N-224 can disrupt VraRC-DNA complex formation (IC50=60.2 μM). TST1N-224 exhibits interference with VraRC binding to its cognate DNA through a fast-on-fast-off binding mechanism (KD=23.4 μM). TST1N-224 predominantly interacts with the α9- and α10-helixes of the DNA-binding domain of VraR. TST1N-224 inhibits the growths of S. aureus (SA; MIC>126 μM), Methicillin-resistant S. aureus (MRSA; MIC>126 μM), and Vancomycin-intermediate S. aureus (VISA; MIC=63 μM). TST1N-224, an antimicrobial agent, evidently enhances the susceptibility of VISA to both Vancomycin (HY-B0671) and Methicillin (HY-B0974)[1].
[References]

[1] Ying-Chu Hsu, et al. Combatting Antibiotic-Resistant Staphylococcus aureus: Discovery of TST1N-224, a Potent Inhibitor Targeting Response Regulator VraRC, through Pharmacophore-Based Screening and Molecular Characterizations. J Chem Inf Model. 2024 Aug 12;64(15):6132-6146. DOI:10.1021/acs.jcim.4c01046
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