Compound ID | 2453

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Pyridopyrimidine 14e

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-negative
Details of activity: Active against Escherichia coli, Klebsiella pneumoniae, and Acinetobacter baumannii
Description: Synthetic compound; analogues reported; selectivity to bacterial biotin carboxylase vs eukaryotic biotin carboxylase
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
Pyridopyrimidine 14e (CID 5328120)
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Molecular weight: 395.05
Iso. SMILES: C1=CC(=C(C(=C1)Br)C2=C(N=C3C(=C2)C=NC(=N3)N)N)Br
InChI Key: HGIPWJYTPOHUGK-UHFFFAOYSA-N
Can. SMILES: C1=CC(=C(C2=C(N)N=C3C(=C2)C=NC(=N3)N)C(=C1)Br)Br
InChI: InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
Pyridopyrimidine 14e (CID 155552297)
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Molecular weight: 424.93
Iso. SMILES: CC(C)COC1=C(C(=CC=C1)Cl)C2=C(N=C3C(=C2)C=NC(=N3)N)N4C[C@@H]5[C@H](C4)C5N
InChI Key: SLZBWLWZNBWUBK-RTHVDDQRSA-N
Can. SMILES: CC(C)COC1=C(C2=C(N=C3C(=C2)C=NC(=N3)N)N4C[C@H]5[C@@H](C4)C5N)C(=CC=C1)Cl
InChI: InChI=1S/C22H25ClN6O/c1-11(2)10-30-17-5-3-4-16(23)18(17)13-6-12-7-26-22(25)28-20(12)27-21(13)29-8-14-15(9-29)19(14)24/h3-7,11,14-15,19H,8-10,24H2,1-2H3,(H2,25,26,27,28)/t14-,15+,19?
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/155552297
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00625

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