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PIP4K-IN-a131

CAT: 0931-T39452Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T39452Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055405-95-1
Target
Others, PI3K
Related Pathways
Others, PI3K/Akt/mTOR signaling
Bioactivity
PIP4K-IN-a131 is a selective inhibitor of PIP4K lipid kinases, demonstrating IC50 values of 1.9 μM for PIP4K2A and 0.6 μM for PIP4Ks. It exhibits cancer-selective lethality by simultaneously blocking the lipid kinase PIP4Ks and mitotic pathways.
Smiles
N#C\C(=C/c1cccc2cnccc12)c1c[nH]c2ccccc12
Molecular Formula
C20H13N3
Molecular Weight
295.345
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PIP4K-IN-a131
CAS Number2055405-95-1
PubChem CID124124841
IUPAC Name(Z)-2-(1H-indol-3-yl)-3-isoquinolin-5-ylprop-2-enenitrile
Molecular FormulaC20H13N3
Molecular Weight295.3
XLogP4
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity502
SMILES
C1=CC=C2C(=C1)C(=CN2)/C(=C/C3=CC=CC4=C3C=CN=C4)/C#N
InChI
InChI=1S/C20H13N3/c21-11-16(19-13-23-20-7-2-1-6-18(19)20)10-14-4-3-5-15-12-22-9-8-17(14)15/h1-10,12-13,23H/b16-10+
InChIKey
GWWKEWLUVHLNEX-MHWRWJLKSA-N
Chemical Structure
2D Structure
2D structure of PIP4K-IN-a131
CAS: 2055405-95-1
CID: 124124841
Formula: C20H13N3
MW: 295.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass295.110947427
Monoisotopic Mass295.110947427
Topological Polar Surface Area52.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-136310-01PIP4K-IN-a131

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