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VS-5584

CAT: 1410-M17218-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M17218-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VS-5584 is a pan-PI3K/mTOR kinase inhibitor.
CAS Number
1246560-33-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
354.41
Molecular Formula
C17H22N8O
Notes
Research use only, not for human use.
Receptor
MTOR| PI3Kα| PI3Kβ| PI3Kγ| PI3Kδ

Chemical Information

Vs-5584

VS-5584 has been used in trials studying the treatment of Lymphoma, Metastatic Cancer, and Non Hematologic Cancers.

CAS Number1246560-33-7
PubChem CID46912230
IUPAC Name5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
Molecular FormulaC17H22N8O
Molecular Weight354.4
XLogP0.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity466
SMILES
CC1=NC2=C(N=C(N=C2N1C(C)C)N3CCOCC3)C4=CN=C(N=C4)N
InChI
InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)
InChIKey
QYBGBLQCOOISAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vs-5584
CAS: 1246560-33-7
CID: 46912230
Formula: C17H22N8O
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass354.19165736
Monoisotopic Mass354.19165736
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity466
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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