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LY-2584702 (hydrochloride)

CAT: 0804-HY-12493BSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-12493BSize:1 Each
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Description
LY-2584702 hydrochloride is a selective ATP competitive inhibitor of p70S6K with an IC50 of 4 nM. In S6K1 enzyme assay, the IC50 of LY-2584702 is 2 nM.
CAS Number
1082948-81-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ribosomal S6 Kinase (RSK)
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/LY-2584702-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
CN1C=C(C2=CC=C(F)C(C(F)(F)F)=C2)N=C1C3CCN(C4=C5C(NN=C5)=NC=N4)CC3.[H]Cl
Molecular Formula
C21H20ClF4N7
Molecular Weight
481.88
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Tolcher A, et al. A phase I trial of LY2584702 tosylate, a p70 S6 kinase inhibitor, in patients with advanced solid tumors. Eur J Cancer. 2014 Mar;50 (5) :867-75.|[2]Phung TL, et al. Akt1 and akt3 exert opposing roles in the regulation of vascular tumor growth. Cancer Res. 2015 Jan 1;75 (1) :40-50.|[3]Chen B, et al. Hyperphosphorylation of RPS6KB1, rather than overexpression, predicts worse prognosis in non-small cell lung cancer patients. PLoS One. 2017 Aug 9;12 (8) :e0182891.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
P70S6K

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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