Compound ID | 2469

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Auranofin analogue

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against Staphylococcus aureus, Enterococcus faecium, Escherichia coli, Acinetobacter baumannii, Pseudomonas aeruginosa, Enterobacter cloacae, and Klebsiella pneumoniae
Description: Synthetic compound; analogues derived from auranofin - a repurposed FDA-approved arthritis drug; lower mammalian cell toxicity than auranofin
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
Auranofin analogue 40
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Molecular weight: 351.18
Iso. SMILES: OCCS[Au]P(C)(C)C
InChI Key: DYQHRVYBKJTABU-UHFFFAOYSA-N
Can. SMILES: CP(C)(C)[Au]SCCO
InChI: InChI=1S/C3H9P.C2H6OS.Au/c1-4(2)3;3-1-2-4;/h1-3H3;3-4H,1-2H2;
Auranofin analogue 31
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Molecular weight: 637.41
Iso. SMILES: CP(C)(C)[Au]S[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChI Key: SPMWEUXLMJUVLU-XTZHGVARSA-N
Can. SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[Au]P(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O9S.C3H9P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4(2)3;/h10-14,24H,5H2,1-4H3;1-3H3;/t10-,11-,12+,13-,14+;;/m1../s1
External links:
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00550

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