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Thalidomide-5-PEG2-NH2 hydrochloride

CAT: 0931-T87515-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87515-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2761406-70-4
Target
Ligand for E3 Ligase
Related Pathways
PROTAC
Bioactivity
Thalidomide-5-PEG2-NH2 hydrochloride, a Thalidomide-based cereblon ligand, is used for recruiting CRBN protein. It can be linked to a protein ligand via a linker to form PROTACs [1].
Smiles
O=C1N(C(=O)C=2C1=CC(OCCOCCN)=CC2)C3C(=O)NC(=O)CC3.Cl
Molecular Formula
C17H20ClN3O6
Molecular Weight
397.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thalidomide-5-PEG2-NH2 hydrochloride
CAS Number2761406-70-4
PubChem CID166428490
IUPAC Name5-[2-(2-aminoethoxy)ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
Molecular FormulaC17H20ClN3O6
Molecular Weight397.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity595
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCOCCN.Cl
InChI
InChI=1S/C17H19N3O6.ClH/c18-5-6-25-7-8-26-10-1-2-11-12(9-10)17(24)20(16(11)23)13-3-4-14(21)19-15(13)22;/h1-2,9,13H,3-8,18H2,(H,19,21,22);1H
InChIKey
WUPVLPBJFLUTLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-5-PEG2-NH2 hydrochloride
CAS: 2761406-70-4
CID: 166428490
Formula: C17H20ClN3O6
MW: 397.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass397.1040631
Monoisotopic Mass397.1040631
Topological Polar Surface Area128 Ų
Heavy Atom Count27
Formal Charge0
Complexity595
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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