JEDI-852

Synonym(s): JEDI852  |  JEDI 852

Class: Lipopolysaccharide synthesis inhibitor (LpxH inhibitor)

Spectrum of activity:	Gram-negative
Details of activity:	Active against efflux-defective Escherichia coli
Propensity to select resistant mutants:	Yes
Description:	Synthetic compound; shows low cytotoxicity towards HepG2 cells (IC50 >32 uM vs MIC 4-8 mg/L)
Year first mentioned:	2023
Development status:	Experimental

Chemical structure(s):
Canonical SMILES:	CN(C1=C(C=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C
Isomeric SMILES:	CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C
InChI:	InChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24)
InChI Key:	WMMQKHOYQUOGHM-UHFFFAOYSA-N
Structure link:	https://pubchem.ncbi.nlm.nih.gov/compound/1228113

External links:
Main Source:	https://www.pnas.org/doi/abs/10.1073/pnas.2317274121?doi=10.1073%2Fpnas.2317274121
Patent:	WO 2022/220725