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Chemical structure of Thalidomide 4'-ether-alkylC6-amine

GC50528

Thalidomide 4'-ether-alkylC6-amine

Also known as 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

Thalidomide 4'-ether-alkylC6-amine is a synthesized E3 ligase ligand-linker conjugate used in the PROTAC dTAG-13, a degrader of FKBP12F36V and BET

ChemicalCAS2245697-88-3MW409.86FormulaC19H23N3O5·HCl
CAS number
2245697-88-3
Molecular weight
409.86
Formula
C19H23N3O5·HCl
Solubility
Soluble in DMSO
InChIKey
HYHUBACBCPALHK-UHFFFAOYSA-N
Catalogue number
GC50528
Brand
GLPBIO
Computed properties PubChem CID 134812847 · TPSA 119 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
119 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28

SMILES C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCN.Cl

Computed descriptors from PubChem (CID 134812847), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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