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Parsaclisib (INCB050465)

CAT: 1568-C01085-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01085-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1426698-88-5
Synonyms
INCB-50465, IBI376
SKU
C01085-5mg
Target
PI3K
Applications
PI3K/Akt/mTOR
Smiles
CCOC1=C (C2CNC (=O) C2) C (=C (Cl) C=C1C (C) [N]3N=C (C) C4=C (N) N=CN=C34) F
Additionnal Information
Parsaclisib (INCB050465, INCB-50465, IBI376) is a potent and highly selective PI3Kδ (PI3K delta) inhibitor with an IC50 of 1 nM at 1 mM ATP in biochemical assay and approximately 20,000-fold selectivity for PI3Kα, PI3Kβ, PI3Kγ and 57 other kinases.
Storage Conditions
3 years -20°C powder

Chemical Information

Parsaclisib

Parsaclisib is under investigation in clinical trial NCT03126019 (An Open-Label Study of Parsaclisib in Relapsed or Refractory Follicular Lymphoma (CITADEL-203)).

CAS Number1426698-88-5
PubChem CID86677874
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
Molecular FormulaC20H22ClFN6O2
Molecular Weight432.9
XLogP2.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
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
InChI
InChI=1S/C20H22ClFN6O2/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)/t10-,11-/m0/s1
InChIKey
ZQPDJCIXJHUERQ-QWRGUYRKSA-N
Chemical Structure
2D Structure
2D structure of Parsaclisib
CAS: 1426698-88-5
CID: 86677874
Formula: C20H22ClFN6O2
MW: 432.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.9
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass432.1476798
Monoisotopic Mass432.1476798
Topological Polar Surface Area108 Ų
Heavy Atom Count30
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 Count1
Compound Is CanonicalizedYes

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