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695160-12-4

695160-12-4 Structure

695160-12-4 Structure
IdentificationBack Directory
[Name]

MBX2546
[CAS]

695160-12-4
[Synonyms]

MBX2546
Acetamide, N-(3,5-dimethylphenyl)-2-[(2-methyl-5-nitrophenyl)(methylsulfonyl)amino]-
[Molecular Formula]

C18H21N3O5S
[MDL Number]

MFCD05817779
[MOL File]

695160-12-4.mol
[Molecular Weight]

391.44
Chemical PropertiesBack Directory
[density ]

1.365±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: 2mg/mL, clear
[form ]

powder
[pka]

12.93±0.70(Predicted)
[color ]

white to beige
Hazard InformationBack Directory
[Uses]

MBX2546 is a influenza A virus inhibitor with the Kd values of 5.3μM and > 100 μM for H1 Hemagglutinin and H3 Hemagglutinin, respectively[1].
[Biochem/physiol Actions]

MBX2546 is a non-cytotoxic (CC50 >100 μM; 283T) molecule that inhibits against influenza hemagglutinin- (HA-) mediated viral entry (IC90 = 5.7 μM against HIV/HA(H5) entry in 293T culture vs. IC90 >100 μM, 98.2 μM, and >85 μM against HIV/LASV-GP, HIV/EBOV-GP, HIV/VSV-G, respectively) by targeting group 1 HA-specific conformational epitope in the HA stem loop region. MBX2546 is shown to inhibit influenza A strains A/PR/8/34 (H1N1) and A/Florida/21/2008 (H1N1-H275Ψ) (oseltamivir-resistant strain), A/California/10/2009/H1N1, as well as high pathogenic avian influenza (HPAI) strain A/Hong Kong/H5N1 (IC50 = 0.3, 5.8, 0.55-1.5, and 3.6 μM, respectively), but not A/Texas/12/2007 (H3N2), A/Perth/16/2009 (H3N2), A/Victoria/3/75 (H3N2), A/Panama/2007/99 (H3N2), A/Sydney/05/97 (H3N2), A/California/7/04 (H3N2), A/Wyoming/03/2003 (H3N2), or influenza B strain B/Florida/4/2006 in MDCK cultures.
[References]

[1] Basu A, et al. Molecular Mechanism Underlying the Action of Influenza A Virus Fusion Inhibitor MBX2546. ACS Infect Dis. 2017 May 12;3(5):330-335. DOI:10.1021/acsinfecdis.6b00194
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