Compound ID | 2181

Update compound information

S02030 and MB_076

Class: Beta-lactamase inhibitor

Spectrum of activity: Gram-negative
Details of activity: Active against Enterobacterales that produce class A carbapenemase; binds to beta-lactamases
Description: Synthetic compound; boronic acid transition state inhibitor; does not have activity alone but shows comparable antibacterial activity to ceftazidime-avibactam when paired with cefepime
Year first mentioned: 2016
Development status: Experimental
Chemical structure(s):
MB_076
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Molecular weight: 373.18
Iso. SMILES: B([C@H](CN1C=C(N=N1)C(=O)O)NC(=O)CSC2=NN=C(S2)N)(O)O
InChI Key: JADCONPWNUDUNV-YFKPBYRVSA-N
Can. SMILES: C1=C(C(=O)O)N=NN1C[C@@H](B(O)O)NC(=O)CSC2=NN=C(N)S2
InChI: InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
S02030
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Molecular weight: 324.12
Iso. SMILES: B([C@H](CN1C=C(N=N1)C(=O)O)NC(=O)CC2=CC=CS2)(O)O
InChI Key: ZXGRTNOGXAKRBS-VIFPVBQESA-N
Can. SMILES: C1=CSC(=C1)CC(=O)N[C@@H](CN2C=C(C(=O)O)N=N2)B(O)O
InChI: InChI=1S/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/71519576
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/168451748
Citation: https://journals.asm.org/doi/10.1128/aac.00930-22

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