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Parsaclisib hydrochloride

CAT: 0013-GTR19196822-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196822-01Size:25 mg
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Description
Parsaclisib hydrochloride (INCB050465 HCl) is a potent and selective PI3Kδ inhibitor, exhibiting antitumor activity with IC50 values between 0.2 and 2 nM. It is widely used in preclinical research for studying B-cell malignancies and immune disorders, demonstrating efficacy in both in vitro cellular assays and in vivo animal models of lymphoma.
CAS Number
1995889-48-9
Field of Research
Signal Transduction
Smiles
Cl.CCOc1c (cc (Cl) c (F) c1[C@@H]1CNC (=O) C1) [C@H] (C) n1nc (C) c2c (N) ncnc12
Molecular Formula
C20H23Cl2FN6O2
Molecular Weight
469.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Parsaclisib Hydrochloride

Parsaclisib Hydrochloride is the hydrochloride salt form of parsaclisib, an inhibitor of the delta isoform of phosphoinositide-3 kinase (PI3K) with potential antineoplastic activity. Parsaclisib inhibits the delta isoform of PI3K and prevents the activation of the PI3K/AKT signaling pathway. This both decreases proliferation and induces cell death in PI3K-delta-overexpressing tumor cells. Unlike other isoforms of PI3K, PI3K-delta is expressed primarily in hematopoietic disease and cell lineages. The targeted inhibition of PI3K-delta is designed to preserve PI3K signaling in normal, non-neoplastic cells. PI3K, an enzyme often overexpressed in cancer cells, plays a crucial role in tumor cell regulation and survival.

CAS Number1995889-48-9
PubChem CID122507744
IUPAC Name(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
Molecular FormulaC20H23Cl2FN6O2
Molecular Weight469.3
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity632
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
InChI
InChI=1S/C20H22ClFN6O2.ClH/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20;/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26);1H/t10-,11-;/m0./s1
InChIKey
TWHUONANZMKBKX-ACMTZBLWSA-N
Chemical Structure
2D Structure
2D structure of Parsaclisib Hydrochloride
CAS: 1995889-48-9
CID: 122507744
Formula: C20H23Cl2FN6O2
MW: 469.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight469.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass468.1243575
Monoisotopic Mass468.1243575
Topological Polar Surface Area108 Ų
Heavy Atom Count31
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes