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Chemical structure of GNE-1858

GC39631

GNE-1858

Also known as N-[2-(3,3-difluoropyrrolidin-1-yl)-6-pyrrolidin-3-ylpyrimidin-4-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine

GNE-1858 is a potent and ATP-competitive hematopoietic progenitor kinase-1 (HPK1) inhibitor, with IC50s of 1·9 nM, 1·9 nM, and 4·5 nM for wild-type and the active mimetic mutants HPK1-TSEE and HPK1-SA, respectively

ChemicalCAS2680616-96-8MW428.48FormulaC21H26F2N8
CAS number
2680616-96-8
Molecular weight
428.48
Formula
C21H26F2N8
Solubility
DMSO ： 20 mg/mL (46·68 mM; Need ultrasonic)
InChIKey
JKPAJCPZQIJPPS-UHFFFAOYSA-N
Catalogue number
GC39631
Brand
GLPBIO
Computed properties PubChem CID 146026186 · XLogP 2.7 · TPSA 83.8 Ų · H-bond donors 2
XLogP
2.7
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
31

SMILES CC(C)N1C2=CC(=NC=C2C=N1)NC3=NC(=NC(=C3)C4CCNC4)N5CCC(C5)(F)F

Computed descriptors from PubChem (CID 146026186), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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