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PIP4K-IN-a131

CAT: 0804-HY-136310-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-136310-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PIP4K-IN-a131 is PIP4K lipid kinases inhibitor, with IC50s of 1.9 μM and 0.6 μM for purified PIP4K2A and PIP4Ks, respectively. PIP4K-IN-a131 exhibits cancer-selective lethality via dual blockade of the lipid kinase PIP4Ks and mitotic pathways[1].
CAS Number
2055405-95-1
UNSPSC
12352005
Target
PI5P4K
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pip4k-in-a131.html
Purity
99.42
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
N#C/C(C1=CNC2=C1C=CC=C2)=C\C3=CC=CC4=C3C=CN=C4
Molecular Formula
C20H13N3
Molecular Weight
295.34
References & Citations
[1]Mayumi Kitagawa, et al. Dual Blockade of the Lipid Kinase PIP4Ks and Mitotic Pathways Leads to Cancer-Selective Lethality. Nat Commun. 2017 Dec 19;8 (1) :2200.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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