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Chemical structure of SHP2 protein degrader-2

GC69886

SHP2 protein degrader-2

Also known as (2R,4S)-1-[(2R)-2-[9-[4-[4-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chloroanilino]-4-oxobutanoyl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

SHP2 protein degrader-2 (SHP2-D26) is a type of SHP2 protein PROTAC degrader· SHP2 protein degrader-2 can reduce the expression level of SHP2 in various cancer cells

ChemicalCAS2740582-16-3MW1115.89FormulaC56H79ClN12O6S2
CAS number
2740582-16-3
Molecular weight
1115.89
Formula
C56H79ClN12O6S2
InChIKey
XJSPAQRZSJUBLB-ISSNAGQGSA-N
Catalogue number
GC69886
Brand
GLPBIO
Computed properties PubChem CID 163408836 · XLogP 6.2 · TPSA 299 Ų · H-bond donors 6
XLogP
6.2
TPSA
299 Ų
H-bond donors
6
H-bond acceptors
15
Rotatable bonds
23
Heavy atoms
77

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](C)NC(=O)[C@H]3C[C@@H](CN3C(=O)[C@@H](C(C)(C)C)NC(=O)CCCCCCCCN4CCN(CC4)C(=O)CCC(=O)NC5=C(C(=CC=C5)SC6=NC=C(N=C6N)N7CCC(CC7)(C)N)Cl)O

Computed descriptors from PubChem (CID 163408836), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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