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Chemical structure of LY2584702 (tosylate)

GC44095

LY2584702 (tosylate)

Also known as 4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;4-methylbenzenesulfonic acid

LY2584702 (tosylate) is a potent, highly selective adenosine triphosphate (ATP) competitive inhibitor against p70 S6 kinase, a downstream component of the phosphatidylinositol-3-kinase signalling pathway with an IC50 value of 0·004μM

ChemicalCAS1082949-68-5MW617.6FormulaC21H19F4N7•C7H8O3S
CAS number
1082949-68-5
Molecular weight
617.6
Formula
C21H19F4N7•C7H8O3S
Solubility
DMF： 10 mg/ml,DMSO： 20 mg/ml,DMSO：PBS(pH 7·2) (1：2)： 0·3 mg/ml,Ethanol： 0·5 mg/ml
InChIKey
HDYUXDNMHBQKAU-UHFFFAOYSA-N
Catalogue number
GC44095
Brand
GLPBIO
Computed properties PubChem CID 46205871 · TPSA 138 Ų · H-bond donors 2 · H-bond acceptors 12
TPSA
138 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
4
Heavy atoms
43

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

Computed descriptors from PubChem (CID 46205871), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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