Compound ID | 2872

Update compound information

PF-07612577 (avibactam tomilopil [ARX-1796] + ceftibuten)

Class: Beta-lactam + beta-lactamase inhibitor

Spectrum of activity: Gram-negative
Details of activity: Active against Enterobacterales (urinary tract infection pathogens);
Combined with other compounds: Yes
Description: Oral prodrug; beta-lactam (cephalosporin) + beta-lactamase inhibitor (non-beta lactam beta-lactamase inhibitor)
Institute where first reported: Pfizer
Year first mentioned: 2023
Highest developmental phase: Phase 1 (NCT05554237)
Development status: Active as of 2024
Chemical structure(s):
PF-07612577 (avibactam tomilopil [ARX-1796]
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Molecular weight: 393.41
Iso. SMILES: CCOC(=O)C(C)(C)COS(=O)(=O)ON1[C@@H]2CC[C@H](N(C2)C1=O)C(=O)N
InChI Key: JHSLCXRZVJOZQZ-ZJUUUORDSA-N
Can. SMILES: CCOC(=O)C(C)(C)COS(=O)(=O)ON1[C@@H]2CC[C@@H](C(=O)N)N(C2)C1=O
InChI: InChI=1S/C14H23N3O8S/c1-4-23-12(19)14(2,3)8-24-26(21,22)25-17-9-5-6-10(11(15)18)16(7-9)13(17)20/h9-10H,4-8H2,1-3H3,(H2,15,18)/t9-,10+/m1/s1
Ceftibuten
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Molecular weight: 410.43
Iso. SMILES: C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\CC(=O)O)/C3=CSC(=N3)N)C(=O)O
InChI Key: UNJFKXSSGBWRBZ-BJCIPQKHSA-N
Can. SMILES: C(=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2C(=O)N3C(=CCS[C@H]23)C(=O)O)/CC(=O)O
InChI: InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/135339165
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/5282242
Citation: https://link.springer.com/article/10.1007/s10096-023-04562-4

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