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PQR514

CAT: 0804-HY-167876-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-167876-01Size:1 mg
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Description
PQR514 is a potent PI3K inhibitor with anticancer activity. PQR514 is able to inhibit cancer cell proliferation. PQR514 showed significant antitumor activity in the OVCAR-3 xenograft model, with the required concentration being approximately one-eighth that of PQR309. PQR514 has good pharmacokinetic properties and minimal brain penetration, making it an optimized candidate compound for inhibiting systemic tumors[1].
CAS Number
1927857-55-3
UNSPSC
12352005
Target
PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pqr514.html
Purity
97.73
Smiles
FC(C1=NC(N)=NC=C1C2=NC(N3CCOCC3)=NC(N4CCOCC4)=N2)F
Molecular Formula
C16H20F2N8O2
Molecular Weight
394.38
References & Citations
[1]Preclinical Development of PQR514, a Highly Potent PI3K Inhibitor Bearing a Difluoromethyl-Pyrimidine Moiety
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

CID 121334488
CAS Number1927857-55-3
PubChem CID121334488
IUPAC Name4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
Molecular FormulaC16H20F2N8O2
Molecular Weight394.38
XLogP0.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity469
SMILES
C1COCCN1C2=NC(=NC(=N2)C3=CN=C(N=C3C(F)F)N)N4CCOCC4
InChI
InChI=1S/C16H20F2N8O2/c17-12(18)11-10(9-20-14(19)21-11)13-22-15(25-1-5-27-6-2-25)24-16(23-13)26-3-7-28-8-4-26/h9,12H,1-8H2,(H2,19,20,21)
InChIKey
VZVYLEDIUUZTCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 121334488
CAS: 1927857-55-3
CID: 121334488
Formula: C16H20F2N8O2
MW: 394.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.38
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass394.16772823
Monoisotopic Mass394.16772823
Topological Polar Surface Area115 Ų
Heavy Atom Count28
Formal Charge0
Complexity469
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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