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LY2584702 Tosylate

CAT: 1568-C12885-01Size: 10 mgDry Ice: YesHazardous: No
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CAT#:1568-C12885-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1082949-68-5
SKU
C12885-10mg
Target
S6 Kinase
Applications
MAPK
Smiles
CC1=CC=C (C=C1) S (=O) (=O) O.CN1C=C (N=C1C2CCN (CC2) C3=NC=NC4=C3C=NN4) C5=CC (=C (C=C5) F) C (F) (F) F
Molecular Formula
C28H27F4N7O3S
Additionnal Information
LY2584702 Tosylate is a selective, ATP-competitive p70S6K inhibitor with IC50 of 4 nM. Phase 1.
Storage Conditions
2 years -80 in solvent

Chemical Information

LY-2584702 (tosylate salt)
CAS Number1082949-68-5
PubChem CID46205871
IUPAC Name4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;4-methylbenzenesulfonic acid
Molecular FormulaC28H27F4N7O3S
Molecular Weight617.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count43
Formal Charge0
Complexity850
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(N=C1C2CCN(CC2)C3=NC=NC4=C3C=NN4)C5=CC(=C(C=C5)F)C(F)(F)F
InChI
InChI=1S/C21H19F4N7.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30);2-5H,1H3,(H,8,9,10)
InChIKey
HDYUXDNMHBQKAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY-2584702 (tosylate salt)
CAS: 1082949-68-5
CID: 46205871
Formula: C28H27F4N7O3S
MW: 617.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight617.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass617.18322157
Monoisotopic Mass617.18322157
Topological Polar Surface Area138 Ų
Heavy Atom Count43
Formal Charge0
Complexity850
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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