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Chemical structure of SHP389

GC63190

SHP389

Also known as 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)-4-pyridinyl]-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

SHP389 is an allosteric SHP2 inhibitor, with an IC50 of 36 nM for both SHP2 and p-ERK

ChemicalCAS2235394-90-6MW484.98FormulaC23H29ClN8O2
CAS number
2235394-90-6
Molecular weight
484.98
Formula
C23H29ClN8O2
Solubility
DMSO ： 100 mg/mL (206·19 mM; Need ultrasonic)
InChIKey
URUPFUYPXLMTMT-KPZWWZAWSA-N
Catalogue number
GC63190
Brand
GLPBIO
Computed properties PubChem CID 124147932 · XLogP 1.4 · TPSA 125 Ų · H-bond donors 3
XLogP
1.4
TPSA
125 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
34

SMILES C[C@H]1[C@H](C2(CCN(CC2)C3=NC4=NNC(=C4C(=O)N3C)C5=C(C(=NC=C5)NC6CC6)Cl)CO1)N

Computed descriptors from PubChem (CID 124147932), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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