Compound ID | 204

Update compound information

PT-8420 and PT-8541

Synonym(s): LFI compounds

Class: Lethal factor protease inhibitor

Spectrum of activity: Gram-positive
Details of activity: LFIs in combination with antibiotics or anti-EF therapeutics for use in post exposure treatment to anthrax
Combined with other compounds: Yes
Institute where first reported: Laboratory of Parasitic Diseases, National Institute of Allergy and Infectious Diseases, National Institutes of Health, Bethesda, Maryland, USA PanTheraBiopharma, USA
Year first mentioned: 2013
Highest developmental phase: Preclinical
Development status: Active
Chemical structure(s):
PT-8541
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Molecular weight: 418.52
Iso. SMILES: ONC([C@@H](CCCCN[C@H](CC)C1=CC=C(F)C=C1)CC2=CC(C)=C(F)C(C)=C2)=O
InChI Key: RKZDOJQKLCPUQZ-RBBKRZOGSA-N
Can. SMILES: CC[C@H](C1=CC=C(C=C1)F)NCCCC[C@@H](CC2=CC(=C(C(=C2)C)F)C)C(=O)NO
InChI: InChI=1S/C24H32F2N2O2/c1-4-22(19-8-10-21(25)11-9-19)27-12-6-5-7-20(24(29)28-30)15-18-13-16(2)23(26)17(3)14-18/h8-11,13-14,20,22,27,30H,4-7,12,15H2,1-3H3,(H,28,29)/t20-,22+/m0/s1
PT-8420
Click here for structure editor
Molecular weight: 434.52
Iso. SMILES: ONC([C@@H](CCCCNC(CC)C1=CC=C(F)C=C1)C[C@@H](OC)C2=CC=C(F)C=C2)=O
InChI Key: BPGDVHWVHMDFBK-IQWVOLIVSA-N
Can. SMILES: CCC(C1=CC=C(C=C1)F)NCCCC[C@@H](C[C@H](C2=CC=C(C=C2)F)OC)C(=O)NO
InChI: InChI=1S/C24H32F2N2O3/c1-3-22(17-7-11-20(25)12-8-17)27-15-5-4-6-19(24(29)28-30)16-23(31-2)18-9-13-21(26)14-10-18/h7-14,19,22-23,27,30H,3-6,15-16H2,1-2H3,(H,28,29)/t19-,22?,23+/m0/s1
External links:
Citations:
  • http://aac.asm.org/content/57/9/4139.full
  • https://journals.asm.org/doi/full/10.1128/aac.00941-13

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