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Chemical structure of Parsaclisib hydrochloride

GC62593

Parsaclisib hydrochloride

Also known as (4R)-4-[3-[(1S)-1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]pyrrolidin-2-one;hydrochloride

Parsaclisib hydrochloride (INCB050465 hydrochloride) is a potent, selective and orally active inhibitor of PI3Kδ, with an IC50 of 1 nM at 1 mM ATP· Parsaclisib hydrochloride shows approximately 20000-fold selectivity over other PI3K class I isoforms· Parsaclisib hydrochloride can be used for the research of relapsed or refractory B-cell malignancies

ChemicalCAS1995889-48-9MW469.34FormulaC20H23Cl2FN6O2
CAS number
1995889-48-9
Molecular weight
469.34
Formula
C20H23Cl2FN6O2
Solubility
DMSO : 240 mg/mL (511·36 mM; Need ultrasonic)
InChIKey
TWHUONANZMKBKX-ACMTZBLWSA-N
Catalogue number
GC62593
Brand
GLPBIO
Computed properties PubChem CID 122507744 · TPSA 108 Ų · H-bond donors 3 · H-bond acceptors 7
TPSA
108 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31

SMILES CCOC1=C(C(=C(C=C1[C@H](C)N2C3=NC=NC(=C3C(=N2)C)N)Cl)F)[C@H]4CC(=O)NC4.Cl

Computed descriptors from PubChem (CID 122507744), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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