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Chemical structure of SHP2-D26

GC69767

SHP2-D26

Also known as (2S,4R)-1-[(2S)-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-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

SHP2-D26 is the first efficient SHP2 degrader· When inducing SHP2 degradation, SHP2-D26 needs to bind with VHL-1 and SHP2 proteins, and it is dependent on ubiquitination-like modification and proteasome

ChemicalCAS2458219-65-1MW1115.89FormulaC56H79ClN12O6S2
CAS number
2458219-65-1
Molecular weight
1115.89
Formula
C56H79ClN12O6S2
Solubility
DMSO ： 83·33 mg/mL (74·68 mM; Need ultrasonic)
InChIKey
XJSPAQRZSJUBLB-WQFCSRJTSA-N
Catalogue number
GC69767
Brand
GLPBIO
Computed properties PubChem CID 155930583 · 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 155930583), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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