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CDC801

CAT: 0931-T10730-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T10730-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192819-27-5
Target
TNF, PDE
Related Pathways
Apoptosis, Metabolism
Purity
0.9961
Bioactivity
CDC801 is an inhibitor of PDE4 and TNF-α with IC50s of 1.1 μM and 2.5 μM, respectively.
Smiles
C(CC(N)=O)(N1C(=O)C=2C(C1=O)=CC=CC2)C3=CC(OC4CCCC4)=C(OC)C=C3
Molecular Formula
C23H24N2O5
Molecular Weight
408.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cdc-801

CDC-801 is under investigation in clinical trial NCT00006097 (Chemotherapy in Treating Patients With Chronic Lymphocytic Leukemia).

CAS Number192819-27-5
PubChem CID9844338
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
Molecular FormulaC23H24N2O5
Molecular Weight408.4
XLogP2.5
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity638
SMILES
COC1=C(C=C(C=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O)OC4CCCC4
InChI
InChI=1S/C23H24N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,26)
InChIKey
DDYUBCCTNHWSQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdc-801
CAS: 192819-27-5
CID: 9844338
Formula: C23H24N2O5
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass408.16852187
Monoisotopic Mass408.16852187
Topological Polar Surface Area98.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity638
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

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Alternative Products

CatalogName
BA3570-5CDC801

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