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FBA-IN-1

CAT: 0931-T60684Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T60684Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2605897-57-0
Target
Antifungal
Related Pathways
Microbiology/Virology
Purity
0.9879
Bioactivity
FBA-IN-1 (compound 2a11) is a first-in-class, covalent, and allosteric inhibitor of fructose-1,6-bisphosphate aldolase (FBA) from Candida albicans (CaFBA) . Additionally, FBA-IN-1 inhibits the growth of Azole-resistant strains 103 with an MIC 80 of 1 μg/mL [1].
Smiles
O=C1C=2C=CC=CC2[Se]N1C3=CC=C(C=C3)CC
Molecular Formula
C15H13NOSe
Molecular Weight
302.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fba-IN-1
CAS Number2605897-57-0
PubChem CID139213625
IUPAC Name2-(4-ethylphenyl)-1,2-benzoselenazol-3-one
Molecular FormulaC15H13NOSe
Molecular Weight302.24
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity312
SMILES
CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
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
Chemical Structure
2D Structure
2D structure of Fba-IN-1
CAS: 2605897-57-0
CID: 139213625
Formula: C15H13NOSe
MW: 302.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass303.01624
Monoisotopic Mass303.01624
Topological Polar Surface Area20.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA1701-25FBA-IN-1
SY-20251BioLyse-FBA SYS
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MBS1447911-01Recombinant Pyrococcus abyssi Fructose-bisphosphate aldolase class 1 (fba)
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