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Thalidomide-O-PEG4-amine

CAT: 0013-GTR19224843-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224843-02Size:500 mg
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Description
Thalidomide-O-PEG4-amine is a polyethylene glycol (PEG) spacer utilized in constructing PROTAC molecules for targeted protein degradation. This linker is commonly applied in both in vitro and in vivo research to develop bifunctional degraders for probing disease-related proteins.
CAS Number
2401832-00-4
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C1NC (=O) C (N2C (=O) C=3C=CC=C (OCCOCCOCCOCCOCCN) C3C2=O) CC1
Molecular Formula
C23H31N3O9
Molecular Weight
493.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-O-PEG4-amine
CAS Number2401832-00-4
PubChem CID145714642
IUPAC Name4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC23H31N3O9
Molecular Weight493.5
XLogP-1.2
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Heavy Atom Count35
Formal Charge0
Complexity735
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOCCOCCN
InChI
InChI=1S/C23H31N3O9/c24-6-7-31-8-9-32-10-11-33-12-13-34-14-15-35-18-3-1-2-16-20(18)23(30)26(22(16)29)17-4-5-19(27)25-21(17)28/h1-3,17H,4-15,24H2,(H,25,27,28)
InChIKey
LZFBLPSYUTXWAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-O-PEG4-amine
CAS: 2401832-00-4
CID: 145714642
Formula: C23H31N3O9
MW: 493.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.5
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Exact Mass493.20602957
Monoisotopic Mass493.20602957
Topological Polar Surface Area156 Ų
Heavy Atom Count35
Formal Charge0
Complexity735
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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