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Chemical structure of HPK1-IN-2 dihydrochloride

GC73012

HPK1-IN-2 dihydrochloride

Also known as 4-amino-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one;dihydrochloride

HPK1-IN-2 didrochloride is a potent and orally active hematopoietic progenitor kinase-1 (HPK1) inhibitor (IC50＜0·05 µΜ) with antitumor activity

ChemicalCAS2375595-72-3MW453.39FormulaC19H22Cl2N6OS
CAS number
2375595-72-3
Molecular weight
453.39
Formula
C19H22Cl2N6OS
Solubility
DMSO ： 100 mg/mL (220·56 mM; Need ultrasonic); H2O ： 25 mg/mL (55·14 mM; Need ultrasonic)
InChIKey
XESGZTINOLHKPH-UHFFFAOYSA-N
Catalogue number
GC73012
Brand
GLPBIO
Computed properties PubChem CID 155971208 · TPSA 119 Ų · H-bond donors 5 · H-bond acceptors 6
TPSA
119 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29

SMILES CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(NC4=O)SC=C5)N.Cl.Cl

Computed descriptors from PubChem (CID 155971208), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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