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LY-2584702 hydrochloride

CAT: 0931-T11900-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11900-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1082948-81-9
Target
S6 Kinase
Related Pathways
PI3K/Akt/mTOR signaling, MAPK
Bioactivity
Ly-2584702 hydrochloride is a p70S6K selective ATP competitive inhibitor with IC50 of 4 nM.In the S6K1 enzyme assay, the IC50 of LY-2584702 was 2 nM.
Smiles
Cl.FC=1C=CC(=CC1C(F)(F)F)C=2N=C(N(C2)C)C3CCN(C=4N=CN=C5NN=CC54)CC3
Molecular Formula
C21H20ClF4N7
Molecular Weight
481.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LY-2584702 hydrochloride
CAS Number1082948-81-9
PubChem CID66650363
IUPAC Name4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride
Molecular FormulaC21H20ClF4N7
Molecular Weight481.9
Topological Polar Surface Area75.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity644
SMILES
CN1C=C(N=C1C2CCN(CC2)C3=NC=NC4=C3C=NN4)C5=CC(=C(C=C5)F)C(F)(F)F.Cl
InChI
InChI=1S/C21H19F4N7.ClH/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20;/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30);1H
InChIKey
GDGYRKDHQORLNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY-2584702 hydrochloride
CAS: 1082948-81-9
CID: 66650363
Formula: C21H20ClF4N7
MW: 481.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass481.1404840
Monoisotopic Mass481.1404840
Topological Polar Surface Area75.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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