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Parsaclisib

CAT: 0013-GTR19156149-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156149-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Parsaclisib is a potent and selective inhibitor of PI3Kδ (IC50 of 1 nM at 1 mM ATP) .
CAS Number
1426698-88-5
Product Name Alternative
INCB050465
Purity
>98% (HPLC)
Solubility
DMSO:122 mg/mL (281.83 mM; Need ultrasonic)
Smiles
CCOc (c ([C@H] (C) n1nc (C) c2c (N) ncnc12) c1) c ([C@@H] (C2) CNC2=O) c (F) c1Cl
Molecular Formula
C20H22ClFN6O2
Molecular Weight
432.88
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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

Alternative Products

CatalogName
BA8737-5Parsaclisib
VED88948-01Parsaclisib hydrochloride
A13561-100Parsaclisib 100mg
A13561-50Parsaclisib 50mg
MBS3613556-01Parsaclisib HCl
A13561-10Parsaclisib 10mg
A13561-5Parsaclisib 5mg
A13561-1Parsaclisib 1mg
C01085-25mgParsaclisib (INCB050465)
HY-109068A-01Parsaclisib (hydrochloride)

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