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(S) -Deoxy-thalidomide

CAT: 0931-T200646-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T200646-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107657-57-8
Target
Kras, Ras, Ligand for E3 Ligase
Related Pathways
MAPK, PROTAC
Bioactivity
(S) -Deoxy-thalidomide functions as a ligand for E3 ubiquitin ligases. It is linked to target protein ligands via a linker, forming PROTACK-Ras Degrader-3. This compound specifically targets and degrades mutant KRAS proteins.
Smiles
O=C1N(CC=2C1=CC=CC2)[C@@H]3C(=O)NC(=O)CC3
Molecular Formula
C13H12N2O3
Molecular Weight
244.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,6-Piperidinedione, 3-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, (S)-
CAS Number107657-57-8
PubChem CID176056
IUPAC Name(3S)-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Molecular FormulaC13H12N2O3
Molecular Weight244.25
XLogP0.2
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity407
SMILES
C1CC(=O)NC(=O)[C@H]1N2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C13H12N2O3/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18/h1-4,10H,5-7H2,(H,14,16,17)/t10-/m0/s1
InChIKey
WENKGSGGXGQHSH-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of 2,6-Piperidinedione, 3-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, (S)-
CAS: 107657-57-8
CID: 176056
Formula: C13H12N2O3
MW: 244.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.25
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass244.08479225
Monoisotopic Mass244.08479225
Topological Polar Surface Area66.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity407
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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