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Chemical structure of FBA-IN-1

GC69096

FBA-IN-1

Also known as 2-(4-ethylphenyl)-1,2-benzoselenazol-3-one

FBA-IN-1 (compound 2a11) is a novel covalent allosteric inhibitor of 1,6-fructose-bisphosphate aldolase (CaFBA) derived from Candida albicans· FBA-IN-1 inhibits the growth of azole-resistant strain 103 with an MIC80 of 1 μg/mL

ChemicalCAS2605897-57-0MW302.23FormulaC15H13NOSe
CAS number
2605897-57-0
Molecular weight
302.23
Formula
C15H13NOSe
Solubility
DMSO : 100 mg/mL (330·87 mM; Need ultrasonic)
InChIKey
MCSRHGLYNCIRNI-UHFFFAOYSA-N
Catalogue number
GC69096
Brand
GLPBIO
Computed properties PubChem CID 139213625 · TPSA 20.3 Ų · H-bond donors 0 · H-bond acceptors 1
TPSA
20.3 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
18

SMILES CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

Computed descriptors from PubChem (CID 139213625), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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