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Difamilast

CAT: 0931-T27172-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T27172-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
937782-05-3
Target
PDE
Related Pathways
Metabolism
Purity
0.9964
Bioactivity
Difamilast is a selective inhibitor of phosphodiesterase-4 (PDE4) with particularly efficient inhibition of subtype B (IC50=11.2 nM) .
Smiles
CCOc1ccccc1C(=O)NCc1coc(n1)-c1ccc(OC(F)F)c(OC(C)C)c1
Molecular Formula
C23H24F2N2O5
Molecular Weight
446.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Difamilast

Atopic dermatitis is a chronic and fluctuating pruritic inflammatory skin condition characterized by pruritic eczema and is also marked by exacerbations and remissions. This skin disease occurs most frequently in children and can have an onset as early as within the first 2 years of life. Difamilast is a selective PDE4 inhibitor and the inhibition of phosphodiesterase-4 (PDE4) reduces proinflammatory mediators and cytokines in atopic dermatitis. As difamilast's mechanism of action involves the inhibition of PDE4, the inhibition leads to an increase in intracellular cyclic AMP and a subsequent decrease in the production of cytokines and chemokines. The drug is indicated for the topical treatment of mild to moderate atopic dermatitis in adults and pediatric patients 2 years of age and older. It is approved in Japan and the United States.

CAS Number937782-05-3
PubChem CID57855696
IUPAC NameN-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
Molecular FormulaC23H24F2N2O5
Molecular Weight446.4
XLogP4.8
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity583
SMILES
CCOC1=CC=CC=C1C(=O)NCC2=COC(=N2)C3=CC(=C(C=C3)OC(F)F)OC(C)C
InChI
InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)
InChIKey
VFBILHPIHUPBPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Difamilast
CAS: 937782-05-3
CID: 57855696
Formula: C23H24F2N2O5
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass446.16532819
Monoisotopic Mass446.16532819
Topological Polar Surface Area82.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity583
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
HY-109085-01Difamilast
HY-109085R-01Difamilast (Standard)

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