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YY-20394

CAT: 0607-A9055-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-A9055-5Size:5 mg
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CAS Number
1702816-75-8
Product Name Alternative
N-(5-(6-fluoro-8-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-2-morpholinoquinazolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide
Sequence
Linperlisib
Purity
0.992
Solubility
≥54.3 mg/mL in DMSO; ≥5.47 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
FC1=CC2=C(N=C(N3CCOCC3)N=C2C(CN4CCC(C(C)(C)O)CC4)=C1)C5=CN=C(OC)C(NS(C)(=O)=O)=C5
Molecular Formula
C28H37FN6O5S
Molecular Weight
588.70
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Linperlisib

Linperlisib is an orally available selective inhibitor of the delta form of phosphatidylinositol 3-kinase (PI3-kinase subunit delta; PI3K-delta; PI3Kdelta), with potential antineoplastic activity. Upon oral administration linperlisib selectively binds to and inhibits PI3K-delta and prevents the activation of the PI3K/AKT signaling pathway. This decreases proliferation of and induces cell death in PI3K-delta over-expressing tumor cells. PI3K-delta also plays a key role in the B-cell receptor (BCR) signaling pathway and the proliferation of certain hematologic cancer cells. The targeted inhibition of PI3K-delta is designed to preserve PI3K signaling in normal, non-neoplastic cells, thereby minimizing serious side effects.

CAS Number1702816-75-8
PubChem CID91754520
IUPAC NameN-[5-[6-fluoro-8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylquinazolin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
Molecular FormulaC28H37FN6O5S
Molecular Weight588.7
XLogP2.1
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity958
SMILES
CC(C)(C1CCN(CC1)CC2=C3C(=CC(=C2)F)C(=NC(=N3)N4CCOCC4)C5=CC(=C(N=C5)OC)NS(=O)(=O)C)O
InChI
InChI=1S/C28H37FN6O5S/c1-28(2,36)20-5-7-34(8-6-20)17-19-13-21(29)15-22-24(31-27(32-25(19)22)35-9-11-40-12-10-35)18-14-23(33-41(4,37)38)26(39-3)30-16-18/h13-16,20,33,36H,5-12,17H2,1-4H3
InChIKey
NVWKNQGHVMMAJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Linperlisib
CAS: 1702816-75-8
CID: 91754520
Formula: C28H37FN6O5S
MW: 588.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.7
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass588.25301764
Monoisotopic Mass588.25301764
Topological Polar Surface Area138 Ų
Heavy Atom Count41
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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