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Thalidomide-5-methyl

CAT: 0013-GTR19169982-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19169982-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thalidomide-5-methyl is a cereblon (CRBN) ligand derived from thalidomide, used to recruit the CRBN protein in targeted protein degradation studies. This compound is a valuable tool for PROTAC development and investigating CRBN's role in both cellular and animal models of disease.
CAS Number
40313-92-6
Product Name Alternative
E3 ligase-recruiting Moiety, inhibit, Ligands for E3 Ligase, LigandforE3Ligase, Ligand for E3 Ligase, Inhibitor, Thalidomide5methyl, Thalidomide-5-methyl, Thalidomide 5 methyl
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
99.48% (May vary between batches)
Solubility
DMSO:50 mg/mL (183.65 mM)
Smiles
O=C1N (C (=O) C=2C1=CC (C) =CC2) C3C (=O) NC (=O) CC3
Molecular Formula
C14H12N2O4
Molecular Weight
272.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2,6-Dioxopiperidin-3-yl)-5-methylisoindoline-1,3-dione
CAS Number40313-92-6
PubChem CID21847923
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione
Molecular FormulaC14H12N2O4
Molecular Weight272.26
XLogP0.7
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity501
SMILES
CC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C14H12N2O4/c1-7-2-3-8-9(6-7)14(20)16(13(8)19)10-4-5-11(17)15-12(10)18/h2-3,6,10H,4-5H2,1H3,(H,15,17,18)
InChIKey
FIRKPGPRAMCBHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dioxopiperidin-3-yl)-5-methylisoindoline-1,3-dione
CAS: 40313-92-6
CID: 21847923
Formula: C14H12N2O4
MW: 272.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.26
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass272.07970687
Monoisotopic Mass272.07970687
Topological Polar Surface Area83.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity501
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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