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Thalidomide-PEG5-NH2

CAT: 0013-GTR19261153-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19261153-02Size:50 mg
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Description
Thalidomide-PEG5-NH2 is a synthetic conjugate that acts as an E3 ligase ligand-linker and comprises a cereblon ligand based on Thalidomide linked to one linker.
CAS Number
2460263-40-3
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Stem Cell & Developmental Biology; Pharmacology & Drug Discovery
Smiles
O=C1NC (=O) C (N2C (=O) C3=CC=C (OCCOCCOCCOCCOCCN) C=C3C2=O) CC1
Molecular Formula
C23H31N3O9
Molecular Weight
493.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-PEG5-NH2
CAS Number2460263-40-3
PubChem CID154659239
IUPAC Name5-[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=C(C=C3)OCCOCCOCCOCCOCCN
InChI
InChI=1S/C23H31N3O9/c24-5-6-31-7-8-32-9-10-33-11-12-34-13-14-35-16-1-2-17-18(15-16)23(30)26(22(17)29)19-3-4-20(27)25-21(19)28/h1-2,15,19H,3-14,24H2,(H,25,27,28)
InChIKey
DPRIQEUNSVIIDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-PEG5-NH2
CAS: 2460263-40-3
CID: 154659239
Formula: C23H31N3O9
MW: 493.5
Interactive 3D Structure
Loading 3D structure...
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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