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Vps34-PIK-III

CAT: 0804-HY-12794-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12794-01Size:2 mg
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Description
Vps34-PIK-III is an orally active and selective VPS34 inhibitor (IC50=18 nM) . Vps34-PIK-III effectively inhibits autophagy and can be used as a molecular tool. vps34-PIK-III is also a PI3K inhibitor that inhibits the expression of genes in liver cancer stem cells (CSCs) [1][2][3].
CAS Number
1383716-40-2
UNSPSC
12352005
Hazard Statement
H315, H319, H320
Target
Autophagy; PI3K
Type
Reference compound
Related Pathways
Autophagy; PI3K/Akt/mTOR
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Vps34-PIK-III.html
Purity
99.63
Solubility
DMSO : ≥ 31 mg/mL
Smiles
NC1=NC=C(C2=CC=NC(NC3=CC=NC=C3)=N2)C(CC4CC4)=N1
Molecular Formula
C17H17N7
Molecular Weight
319.36
Precautions
H315, H319, H320
References & Citations
[1]Honda A, et al. Potent, Selective, and Orally Bioavailable Inhibitors of VPS34 Provide Chemical Tools to Modulate Autophagy in Vivo. ACS Med Chem Lett. 2015 Nov 13;7 (1) :72-6. |[2]Liu F, et al. PIK3C3 regulates the expansion of liver CSCs and PIK3C3 inhibition counteracts liver cancer stem cell activity induced by PI3K inhibitor. Cell Death Dis. 2020 Jun 8;11 (6) :427. |[3]Dowdle WE, et al. Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo. Nat Cell Biol. 2014 Nov;16 (11) :1069-79.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PI3Kα; PI3Kγ; PI3Kδ; Vps34

Chemical Information

Pik-iii
CAS Number1383716-40-2
PubChem CID67983123
IUPAC Name4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
Molecular FormulaC17H17N7
Molecular Weight319.4
XLogP2
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity396
SMILES
C1CC1CC2=NC(=NC=C2C3=NC(=NC=C3)NC4=CC=NC=C4)N
InChI
InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
InChIKey
XXSDLQLNIVFIJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pik-iii
CAS: 1383716-40-2
CID: 67983123
Formula: C17H17N7
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass319.15454357
Monoisotopic Mass319.15454357
Topological Polar Surface Area103 Ų
Heavy Atom Count24
Formal Charge0
Complexity396
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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