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Apremilast

CAT: 0931-T2923-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T2923-04Size:25 mg
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CAS Number
608141-41-9
Target
Apoptosis, PDE, TNF
Related Pathways
Apoptosis, Metabolism
Purity
0.9995
Bioactivity
Apremilast (CC-10004) (CC-10004) is a potent and orally active PDE4 (IC50=74 nM) with anti-inflammation activities.
Smiles
[C@H](CS(C)(=O)=O)(N1C(=O)C=2C(C1=O)=CC=CC2NC(C)=O)C3=CC(OCC)=C(OC)C=C3
Molecular Formula
C22H24N2O7S
Molecular Weight
460.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Apremilast

Apremilast is a member of the class of isoindoles that is isoindole-1,3-dione substituted at position 4 by an acetamido group and at position 1 by a 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl group. Used for treatment of psoriatic arthritis. It has a role as a non-steroidal anti-inflammatory drug and a phosphodiesterase IV inhibitor. It is a N-acetylarylamine, an aromatic ether, a sulfone and a member of phthalimides.

CAS Number608141-41-9
PubChem CID11561674
IUPAC NameN-[2-[(1S)-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@@H](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)/t17-/m1/s1
InChIKey
IMOZEMNVLZVGJZ-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Apremilast
CAS: 608141-41-9
CID: 11561674
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 Count1
Undefined Atom Stereocenter Count0
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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