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Abafungin

CAT: 0013-GTR19173554-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173554-01Size:5 mg
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Description
Abafungin (Bay w 6341) is a broad-spectrum synthetic antifungal agent. It is used in research to study antifungal mechanisms and efficacy against pathogenic fungi in both in vitro assays and in vivo experimental models.
CAS Number
129639-79-8
Product Name Alternative
UNII-11DI31LWXF, Bay w 6341, Abafungin, Fungal, Inhibitor, inhibit
Field of Research
Infectious Disease & Virology
Purity
97.49% (May vary between batches)
Solubility
DMSO:3.79 mg/mL (10.01 mM) ; H2O:Insoluble
Smiles
Cc1ccc (Oc2ccccc2-c2csc (NC3=NCCCN3) n2) c (C) c1
Molecular Formula
C21H22N4OS
Molecular Weight
378.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Abafungin

Abafungin is a member of the class of guanidines that is tetrahydropyrimidin-2(1H)-imine in which the hydrogen of the imino group is replaced by a thiazol-2-yl group which in turn is substituted by a 2-(2,4-dimethylphenoxy)phenyl group at position 4. It has been used for the topical treatment of fungal nail infections. It has a role as an antifungal drug. It is a member of guanidines, an aromatic ether and a member of 1,3-thiazoles.

CAS Number129639-79-8
PubChem CID159326
IUPAC Name4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
Molecular FormulaC21H22N4OS
Molecular Weight378.5
XLogP4.3
Topological Polar Surface Area86.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity516
SMILES
CC1=CC(=C(C=C1)OC2=CC=CC=C2C3=CSC(=N3)NC4=NCCCN4)C
InChI
InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)
InChIKey
TYBHXIFFPVFXQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Abafungin
CAS: 129639-79-8
CID: 159326
Formula: C21H22N4OS
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass378.15143251
Monoisotopic Mass378.15143251
Topological Polar Surface Area86.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity516
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

Alternative Products

CatalogName
BA1757-2Abafungin
235069-01Abafungin ≥95% (HPLC)

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