Compound ID | 2818

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Bactobolin

Class: Folate synthesis inhibitor

Spectrum of activity: Gram-positive
Details of activity: Active against methicillin-resistant and -susceptible Staphylococcus aureus, Staphylococcus epidermidis, Enterococcus sp., and Mycobacterium tuberculosis; membrane-active agent
Description: Synthetic compound from the National Cancer Institute (NCI) diversity set V library (1,593 compounds); shows synergistic effect with cefoxitin
Institute where first reported: Division of Pharmacology and Pharmaceutical Sciences, School of Pharmacy, University of Missouri-Kansas City, Kansas City, Missouri, USA
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 383.22
Iso. SMILES: C[C@@H](C(=O)N[C@@H]1[C@@H]2[C@H]([C@@H](CC(=C2C(=O)O[C@]1(C)C(Cl)Cl)O)O)O)N
InChI Key: RBCHRRIVFAIGFI-RGBMRXMBSA-N
Can. SMILES: C[C@@H](C(=O)N[C@@H]1[C@H]2C(=C(C[C@H]([C@@H]2O)O)O)C(=O)O[C@]1(C)C(Cl)Cl)N
InChI: InChI=1S/C14H20Cl2N2O6/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22)/t4-,6+,8-,9-,10+,14-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/54676871
Citation: https://journals.asm.org/doi/10.1128/spectrum.00541-23#T3

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