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Chemical structure of Thalidomide-O-C6-NH2 TFA

GC66314

Thalidomide-O-C6-NH2 TFA

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

Thalidomide-O-C6-NH2 TFA is a synthesized E3 ligase ligand-linker conjugate used in the PROTAC dTAG-13 (HY-114421), a degrader of FKBP12F36V and BET

ChemicalCAS1957235-99-2MW487.43FormulaC21H24F3N3O7
CAS number
1957235-99-2
Molecular weight
487.43
Formula
C21H24F3N3O7
InChIKey
MSWDVCMWKADMFA-UHFFFAOYSA-N
Catalogue number
GC66314
Brand
GLPBIO
Computed properties PubChem CID 134495955 · TPSA 156 Ų · H-bond donors 3 · H-bond acceptors 11
TPSA
156 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
34

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

Computed descriptors from PubChem (CID 134495955), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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