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Dovramilast

CAT: 0013-GTR19186124-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186124-04Size:10 mg
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Description
Dovramilast (CC-11050) is an orally bioavailable PDE4 inhibitor that suppresses pro-inflammatory cytokine production. It is utilized in research for inflammatory conditions, including studies of Mycobacterium tuberculosis infection and lupus erythematosus, in both in vitro and in vivo experimental models.
CAS Number
340019-69-4
Product Name Alternative
PDE4, CC-11050
Field of Research
Metabolism Research
Purity
98.75% (May vary between batches)
Solubility
DMSO:15 mg/mL (31.74 mM)
Smiles
CCOc1cc (ccc1OC) [C@@H] (CS (C) (=O) =O) N1Cc2cccc (NC (=O) C3CC3) c2C1=O
Molecular Formula
C24H28N2O6S
Molecular Weight
472.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dovramilast

Dovramilast is under investigation in clinical trial NCT01300208 (To Evaluate the Preliminary Safety, Tolerability, Pharmacokinetics, Pharmacodynamics and Efficacy of CC-11050 in Subjects With Discoid Lupus Erythematosus and Subacute Cutaneous Lupus Erythematosus).

CAS Number340019-69-4
PubChem CID10322579
IUPAC NameN-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide
Molecular FormulaC24H28N2O6S
Molecular Weight472.6
XLogP2.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity823
SMILES
CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2CC3=C(C2=O)C(=CC=C3)NC(=O)C4CC4)OC
InChI
InChI=1S/C24H28N2O6S/c1-4-32-21-12-16(10-11-20(21)31-2)19(14-33(3,29)30)26-13-17-6-5-7-18(22(17)24(26)28)25-23(27)15-8-9-15/h5-7,10-12,15,19H,4,8-9,13-14H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKey
QDZOBXFRIVOQBR-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Dovramilast
CAS: 340019-69-4
CID: 10322579
Formula: C24H28N2O6S
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass472.16680779
Monoisotopic Mass472.16680779
Topological Polar Surface Area110 Ų
Heavy Atom Count33
Formal Charge0
Complexity823
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

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