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Chemical structure of HPK1-IN-3

GC62514

HPK1-IN-3

Also known as 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidine-5-carboxamide

HPK1-IN-3 is a potent and selective ATP-competitive hematopoietic progenitor kinase 1 (HPK1; MAP4K1) inhibitor with an IC50 of 0·25 nM

ChemicalCAS2739844-34-7MW490.45FormulaC23H22F4N6O2
CAS number
2739844-34-7
Molecular weight
490.45
Formula
C23H22F4N6O2
Solubility
DMSO ： 83·33 mg/mL (169·91 mM; Need ultrasonic)
InChIKey
RZLXOEIALAVGKH-UHFFFAOYSA-N
Catalogue number
GC62514
Brand
GLPBIO
Computed properties PubChem CID 155883041 · XLogP 4.2 · TPSA 105 Ų · H-bond donors 3
XLogP
4.2
TPSA
105 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
35

SMILES CN1CCC2=CC(=C(C=C2C1)NC3=NC=C(C(=N3)NC4=C(C=CC=C4F)C(F)(F)F)C(=O)N)OC

Computed descriptors from PubChem (CID 155883041), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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