2. Anti-infection
  3. Bacterial
  4. 2909443-78-1

2909443-78-1

MsbA-IN-3 Chemical Structure

2909443-78-1

Chemical Structure

  • MsbA-IN-3
  • CAS No: 2909443-78-1
    Formula: C24H22Cl2N2O4S
    Molecular Weight: 505.41
  • IUPAC Name: (S,E)-3-(4-cyclopropyl-6-(1-(2,6-dichlorophenyl)ethoxy)quinolin-3-yl)-N-(methylsulfonyl)acrylamide
  • InChIKey: UUFDGUAIJIBMII-ZHZWZMEUSA-N
  • SMILES: O=C(NS(=O)(C)=O)/C=C/C1=C(C2CC2)C3=CC(O[C@H](C4=C(Cl)C=CC=C4Cl)C)=CC=C3N=C1

Biological Activity: MsbA-IN-3 (compound 31) is a potent and highly selective MsbA inhibitor with an IC50 value of 2 nM. MsbA-IN-3 has inhibitory activity against Escherichia coli with a MIC of 35 μM[1].

References

[1]. Verma VA, et al. Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity. J Med Chem. 2022;65(5):4085-4120. [Content Brief]

Keywords:

MsbA-IN-3