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Antifungal agent 73

CAT: 0804-HY-155279Size: 1 EachDry Ice: NoHazardous: No
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Description
Antifungal agent 73 (compound A32) is an antifungal agent for azole-resistant candidiasis. Antifungal agent 73 disrupts the fungal cell wall and cell membrane. Antifungal agent 73 shows potent in vivo antifungal activity against pathogenic fungi and fluconazole-resistant strains[1].
CAS Number
2923519-78-0
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-73.html
Solubility
10 mM in DMSO
Smiles
ClC1=CC=C(C(Cl)=C1)C(CN2C=NC=C2)OCC3=CC4=C(C=C3)C=CC(O4)=O
Molecular Formula
C21H16Cl2N2O3
Molecular Weight
415.27
References & Citations
[1]Zhongzuo Yan, et al. Developing Novel Coumarin-Containing Azoles Antifungal Agents by the Scaffold Merging Strategy for Treating Azole-Resistant Candidiasis.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antifungal agent 73
CAS Number2923519-78-0
PubChem CID169450657
IUPAC Name7-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]chromen-2-one
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.3
XLogP4.7
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity576
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H16Cl2N2O3/c22-16-4-5-17(18(23)10-16)20(11-25-8-7-24-13-25)27-12-14-1-2-15-3-6-21(26)28-19(15)9-14/h1-10,13,20H,11-12H2
InChIKey
VKWSRUWNMWEHHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 73
CAS: 2923519-78-0
CID: 169450657
Formula: C21H16Cl2N2O3
MW: 415.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight415.3
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass414.0537978
Monoisotopic Mass414.0537978
Topological Polar Surface Area53.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity576
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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