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Apremilast, (+/-) -

CAT: 0931-T21043-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T21043-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
253168-86-4
Target
Others, PDE
Related Pathways
Metabolism, Others
Bioactivity
Apremilast, (+/-) -, is a small molecule inhibitor of phosphodiesterase 4 (PDE4) with oral activity. It is used to treat psoriatic arthritis.
Smiles
CCOc1cc(ccc1OC)C(CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O
Molecular Formula
C22H24N2O7S
Molecular Weight
460.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Apremilast, (+-)-

See also: Apremilast (annotation moved to).

CAS Number253168-86-4
PubChem CID10151715
IUPAC NameN-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
Molecular FormulaC22H24N2O7S
Molecular Weight460.5
XLogP1.8
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity825
SMILES
CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC
InChI
InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)
InChIKey
IMOZEMNVLZVGJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apremilast, (+-)-
CAS: 253168-86-4
CID: 10151715
Formula: C22H24N2O7S
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass460.13042228
Monoisotopic Mass460.13042228
Topological Polar Surface Area127 Ų
Heavy Atom Count32
Formal Charge0
Complexity825
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

Alternative Products

CatalogName
RM-A162981-01Apremilast Impurity A (R-Apremilast)
441694-01Apremilast
MBS5772816Apremilast, (+/-)-
GTR19201927-01Apremilast, (+/-) -

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