FBA-IN-1

• CAT Number: I044070
• CAS Number: 2605897-57-0
• Molecular Formula: C15H13NOSe
• Molecular Weight: 302.23
• Purity: ≥95%
• Synonyms: 2-(4-ethylphenyl)-1,2-benzoselenazol-3-one
• InChI: InChI=1S/C15H13NOSe/c1-2-11-7-9-12(10-8-11)16-15(17)13-5-3-4-6-14(13)18-16/h3-10H,2H2,1H3
• InChIKey: MCSRHGLYNCIRNI-UHFFFAOYSA-N
• SMILES: CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

FBA-IN-1 (compound 2a11) is a first-in-class, covalent and allosteric inhibitor of fructose-1,6-bisphosphate aldolase from Candida albicans (CaFBA). FBA-IN-1 inhibits the growth of Azole-resistant strains 103 with the MIC80 of 1 μg/mL[1].

Reference

[1]. Wuqiang Wen, et al. Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J Med Chem. 2022 Feb 10;65(3):2656-2674.
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