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Antifungal agent 58

CAT: 0804-HY-153623Size: 1 EachDry Ice: NoHazardous: No
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Description
Antifungal agent 58 (compound A21) is a potent antifungal agent, against Fluconazole -resistant strains. Antifungal agent 58 is more effective than Miconazole (HY-B0454). Antifungal agent 58 inhibits Candida albicans strains with MIC values of 0.06-8 μg/mL[1].
CAS Number
2422019-94-9
UNSPSC
12352005
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antifungal-agent-58.html
Solubility
10 mM in DMSO
Smiles
FC1=CC(C[Se]C(C2=CC=C(F)C=C2F)CN3C=CN=C3)=CC=C1
Molecular Formula
C18H15F3N2Se
Molecular Weight
395.28
References & Citations
[1]Xu H, et al. Design, synthesis, and biological evaluation of novel miconazole analogues containing selenium as potent antifungal agents. Eur J Med Chem. 2020 Jul 15;198:112360.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antifungal agent 58
CAS Number2422019-94-9
PubChem CID162676320
IUPAC Name1-[2-(2,4-difluorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole
Molecular FormulaC18H15F3N2Se
Molecular Weight395.3
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity387
SMILES
C1=CC(=CC(=C1)F)C[Se]C(CN2C=CN=C2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C18H15F3N2Se/c19-14-3-1-2-13(8-14)11-24-18(10-23-7-6-22-12-23)16-5-4-15(20)9-17(16)21/h1-9,12,18H,10-11H2
InChIKey
DXQPEWCGJPXSKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 58
CAS: 2422019-94-9
CID: 162676320
Formula: C18H15F3N2Se
MW: 395.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass396.03525
Monoisotopic Mass396.03525
Topological Polar Surface Area17.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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