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Thalidomide-PEG4-NH2 hydrochloride

CAT: 0013-GTR19222228Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222228Size:25 mg
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Description
Thalidomide-PEG4-NH2 hydrochloride is a cereblon (CRBN) -directed E3 ligase ligand-linker conjugate, widely used in PROTAC development for targeted protein degradation. This compound serves as a key building block for constructing PROTAC molecules in both in vitro biochemical assays and in vivo preclinical research.
CAS Number
2387510-82-7
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
Cl.NCCOCCOCCOCCOc1cccc2C (=O) N (C3CCC (=O) NC3=O) C (=O) c12
Molecular Formula
C21H28ClN3O8
Molecular Weight
485.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-PEG4-NH2 hydrochloride
CAS Number2387510-82-7
PubChem CID146018962
IUPAC Name4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
Molecular FormulaC21H28ClN3O8
Molecular Weight485.9
Topological Polar Surface Area146
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count33
Formal Charge0
Complexity688
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOCCN.Cl
InChI
InChI=1S/C21H27N3O8.ClH/c22-6-7-29-8-9-30-10-11-31-12-13-32-16-3-1-2-14-18(16)21(28)24(20(14)27)15-4-5-17(25)23-19(15)26;/h1-3,15H,4-13,22H2,(H,23,25,26);1H
InChIKey
NDHMOOQETYCWFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-PEG4-NH2 hydrochloride
CAS: 2387510-82-7
CID: 146018962
Formula: C21H28ClN3O8
MW: 485.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass485.1564926
Monoisotopic Mass485.1564926
Topological Polar Surface Area146 Ų
Heavy Atom Count33
Formal Charge0
Complexity688
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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