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Chemical structure of SHP099 HCl

GC25930

SHP099 HCl

Also known as 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine;hydrochloride

SHP099 is a highly potent, selective and orally bioavailable small-molecule SHP2 inhibitor with an IC50 value of 0·071 μM and shows no activity against SHP1

ChemicalCAS2200214-93-1MW388.72FormulaC16H20Cl3N5
CAS number
2200214-93-1
Molecular weight
388.72
Formula
C16H20Cl3N5
Solubility
DMSO： 78 mg/mL (200·66 mM);Water： 6 mg/mL (15·44 mM);Ethanol： Insoluble
InChIKey
KHQHYRFUYAXWOQ-UHFFFAOYSA-N
Catalogue number
GC25930
Brand
GLPBIO
Computed properties PubChem CID 121241170 · TPSA 81.1 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
81.1 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24

SMILES CC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)N.Cl

Computed descriptors from PubChem (CID 121241170), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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