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Antifungal agent 67

CAT: 0804-HY-155709Size: 1 EachDry Ice: NoHazardous: No
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Description
Antifungal agent 67 (compound 9) is an imidazole antifungal agent that is effective against Candida. Antifungal agent 67 has a CC50 value of 33.6 μM on healthy neonatal rat cardiomyoblasts[1].
CAS Number
2925307-52-2
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-67.html
Solubility
10 mM in DMSO
Smiles
ClC1=CC=C(C=C1)COC(COC2=CC=C(CC=C)C=C2OC)CN3C=CN=C3
Molecular Formula
C23H25ClN2O3
Molecular Weight
412.91
References & Citations
[1]Campos Péret VA, et al. New miconazole-based azoles derived from eugenol show activity against Candida spp. and Cryptococcus gattii by inhibiting the fungal ergosterol biosynthesis. Eur J Med Chem. 2023 Aug 5;256:115436.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antifungal agent 67
CAS Number2925307-52-2
PubChem CID168679818
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole
Molecular FormulaC23H25ClN2O3
Molecular Weight412.9
XLogP4.7
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity473
SMILES
COC1=C(C=CC(=C1)CC=C)OCC(CN2C=CN=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H25ClN2O3/c1-3-4-18-7-10-22(23(13-18)27-2)29-16-21(14-26-12-11-25-17-26)28-15-19-5-8-20(24)9-6-19/h3,5-13,17,21H,1,4,14-16H2,2H3
InChIKey
TZNFPVVDWONOHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 67
CAS: 2925307-52-2
CID: 168679818
Formula: C23H25ClN2O3
MW: 412.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.9
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass412.1553704
Monoisotopic Mass412.1553704
Topological Polar Surface Area45.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity473
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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