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IPI-3063

CAT: 0013-GTR19174413-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174413-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IPI-3063 is a potent and selective small molecule inhibitor of the PI3K p110δ isoform, demonstrating an IC50 of 2.5 ± 1.2 nM. It is a valuable research tool for studying B-cell malignancies and immune disorders in both in vitro and in vivo experimental models.
CAS Number
1425043-73-7
Product Name Alternative
P110β, p110γ, p110α, p110δ, inhibit, IPI 3063, IPI3063, IPI-3063, Inhibitor, Phosphoinositide 3-kinase, PI3K
Field of Research
Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
DMSO:83.33 mg/mL (182.94 mM)
Smiles
CC (C) n1c (cc2cccc (-c3ccc (=O) n (C) c3) c2c1=O) [C@H] (C) Nc1ncnc (N) c1C#N
Molecular Formula
C25H25N7O2
Molecular Weight
455.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-4-Amino-6-((1-(2-isopropyl-8-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1-oxo-1,2-dihydroisoquinolin-3-yl)ethyl)amino)pyrimidine-5-carbonitrile
CAS Number1425043-73-7
PubChem CID71276090
IUPAC Name4-amino-6-[[(1S)-1-[8-(1-methyl-6-oxo-3-pyridinyl)-1-oxo-2-propan-2-ylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
Molecular FormulaC25H25N7O2
Molecular Weight455.5
XLogP2.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity962
SMILES
C[C@@H](C1=CC2=C(C(=CC=C2)C3=CN(C(=O)C=C3)C)C(=O)N1C(C)C)NC4=NC=NC(=C4C#N)N
InChI
InChI=1S/C25H25N7O2/c1-14(2)32-20(15(3)30-24-19(11-26)23(27)28-13-29-24)10-16-6-5-7-18(22(16)25(32)34)17-8-9-21(33)31(4)12-17/h5-10,12-15H,1-4H3,(H3,27,28,29,30)/t15-/m0/s1
InChIKey
OBHAYOJCPNWKBL-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of (S)-4-Amino-6-((1-(2-isopropyl-8-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1-oxo-1,2-dihydroisoquinolin-3-yl)ethyl)amino)pyrimidine-5-carbonitrile
CAS: 1425043-73-7
CID: 71276090
Formula: C25H25N7O2
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass455.20697307
Monoisotopic Mass455.20697307
Topological Polar Surface Area128 Ų
Heavy Atom Count34
Formal Charge0
Complexity962
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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M23579-01IPI-3063
A16800-50IPI-3063 50mg
A16800-1IPI-3063 1mg
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A16800-2IPI-3063 2mg
A16800-100IPI-3063 100mg
A16800-10IPI-3063 10mg
A16800-5IPI-3063 5mg
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