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Chemical structure of SHP2-IN-6 hydrochloride

GC62570

SHP2-IN-6 hydrochloride

Also known as 1-[4-[3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-3,3-difluoro-2H-indol-1-yl]ethanone;hydrochloride

SHP2-IN-6 hydrochloride is a potent SHP2 inhibitor with an IC50 of 25·8 nM· SHP2-IN-6 hydrochloride is extracted from patent WO2017211303A1, compound 7

ChemicalCAS2169223-49-6MW513FormulaC22H27ClF2N6O2S
CAS number
2169223-49-6
Molecular weight
513
Formula
C22H27ClF2N6O2S
Solubility
DMSO : 115 mg/mL (224·17 mM; Need ultrasonic)
InChIKey
CVTYVQDHPFFBBF-PKLMIRHRSA-N
Catalogue number
GC62570
Brand
GLPBIO
Computed properties PubChem CID 162640809 · TPSA 136 Ų · H-bond donors 3 · H-bond acceptors 10
TPSA
136 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
34

SMILES CC(=O)N1CC(C2=C1C=CC=C2SC3=NC=C(N=C3N)N4CCC5(CC4)COC[C@H]5N)(F)F.Cl

Computed descriptors from PubChem (CID 162640809), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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