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Thalidomide-O-amido-PEG3-azide

CAT: 0013-GTR19276733-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276733-01Size:50 mg
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Description
Thalidomide-O-amido-PEG3-azide is a ligand for the E3 ubiquitin ligase cereblon (CRBN), used to recruit cereblon proteins. It can be conjugated to a target protein ligand via a linker to form a PROTAC.
CAS Number
2402790-58-1
Smiles
[N-]=[N+]=NCCOCCOCCOCCNC (=O) COC1=CC=CC=2C (=O) N (C (=O) C12) C3C (=O) NC (=O) CC3
Molecular Formula
C23H28N6O9
Molecular Weight
532.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-O-acetamido-PEG3-C2-azide
CAS Number2402790-58-1
PubChem CID155292190
IUPAC NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Molecular FormulaC23H28N6O9
Molecular Weight532.5
XLogP-0.1
Topological Polar Surface Area164
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count38
Formal Charge0
Complexity925
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C23H28N6O9/c24-28-26-7-9-36-11-13-37-12-10-35-8-6-25-19(31)14-38-17-3-1-2-15-20(17)23(34)29(22(15)33)16-4-5-18(30)27-21(16)32/h1-3,16H,4-14H2,(H,25,31)(H,27,30,32)
InChIKey
LPOYGZDPGIZIFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-O-acetamido-PEG3-C2-azide
CAS: 2402790-58-1
CID: 155292190
Formula: C23H28N6O9
MW: 532.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.5
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass532.19177649
Monoisotopic Mass532.19177649
Topological Polar Surface Area164 Ų
Heavy Atom Count38
Formal Charge0
Complexity925
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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