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Thalidomide D4

CAT: 0931-T13141-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T13141-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219177-18-0
Target
Apoptosis, Ligand for E3 Ligase, Molecular Glues, Autophagy
Related Pathways
Autophagy, PROTAC, Apoptosis
Bioactivity
Thalidomide D4 is a deuterium labeled Thalidomide, has immunomodulatory, anti-inflammatory and anti-angiogenic cancer properties.
Smiles
O=C1N(C(=O)C=2C1=C(C(=C(C2[2H])[2H])[2H])[2H])C3C(=O)NC(=O)CC3
Molecular Formula
C13H10N2O4
Molecular Weight
262.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thalidomide-d4
CAS Number1219177-18-0
PubChem CID45040511
IUPAC Name4,5,6,7-tetradeuterio-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC13H10N2O4
Molecular Weight262.25
XLogP0.3
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity449
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=O)N(C2=O)C3CCC(=O)NC3=O)[2H])[2H]
InChI
InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/i1D,2D,3D,4D
InChIKey
UEJJHQNACJXSKW-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-d4
CAS: 1219177-18-0
CID: 45040511
Formula: C13H10N2O4
MW: 262.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.25
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass262.08916379
Monoisotopic Mass262.08916379
Topological Polar Surface Area83.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity449
Isotope Atom Count4
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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