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Chemical structure of E3 ligase Ligand-Linker Conjugates 12

GC33000

E3 ligase Ligand-Linker Conjugates 12

Also known as (2S,4R)-1-[(2S)-2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

E3 ligase Ligand-Linker Conjugates 12 is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC based VHL ligand and 3-unit PEG linker used in PROTAC technology

ChemicalCAS1797406-80-4MW645.77FormulaC30H43N7O7S
CAS number
1797406-80-4
Molecular weight
645.77
Formula
C30H43N7O7S
Solubility
DMSO : 50 mg/mL (77·43 mM)
InChIKey
MZOMHQGOVGODTD-ONBPZOJHSA-N
Catalogue number
GC33000
Brand
GLPBIO
Computed properties PubChem CID 122539916 · XLogP 2.8 · TPSA 182 Ų · H-bond donors 3
XLogP
2.8
TPSA
182 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
18
Heavy atoms
45

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCN=[N+]=[N-])O

Computed descriptors from PubChem (CID 122539916), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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