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Epaldeudomide

CAT: 0931-T206325-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206325-01Size:10 mg
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CAS Number
1918159-31-5
Target
TNF
Related Pathways
Apoptosis
Bioactivity
Epaldeudomide (Compound A406) is an inhibitor of TNF-α, showing an inhibition rate of over 50% at 100 nM. It effectively suppresses the proliferation of cancer cells MM.1S (IC50 < 300 nM), WSU-DLCL-2 (IC50 < 100 nM), and Rec-1 (IC50 < 100 nM) . Epaldeudomide exhibits antitumor activity.
Smiles
O(CC1=C(F)C=C(CN2CCOCC2)C=C1)C3=C4C(C(=O)N(C4)[C@@]5(C(=O)NC(=O)CC5)[2H])=CC=C3
Molecular Formula
C25H26FN3O5
Molecular Weight
468.496
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Epaldeudomide
CAS Number1918159-31-5
PubChem CID132054887
IUPAC Name(3S)-3-deuterio-3-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC25H26FN3O5
Molecular Weight468.5
XLogP1.2
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity776
SMILES
[2H][C@@]1(CCC(=O)NC1=O)N2CC3=C(C2=O)C=CC=C3OCC4=C(C=C(C=C4)CN5CCOCC5)F
InChI
InChI=1S/C25H26FN3O5/c26-20-12-16(13-28-8-10-33-11-9-28)4-5-17(20)15-34-22-3-1-2-18-19(22)14-29(25(18)32)21-6-7-23(30)27-24(21)31/h1-5,12,21H,6-11,13-15H2,(H,27,30,31)/t21-/m0/s1/i21D
InChIKey
LSWTTWZVLFJNEN-VKXNLOJKSA-N
Chemical Structure
2D Structure
2D structure of Epaldeudomide
CAS: 1918159-31-5
CID: 132054887
Formula: C25H26FN3O5
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass468.19192585
Monoisotopic Mass468.19192585
Topological Polar Surface Area88.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity776
Isotope Atom Count1
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
HY-172430SEpaldeudomide

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