LY 2228820, p38 MAPK inhibitor

Key facts

CAS number

862507-23-1

Purity

>98%

Form

Solid

form

Molecular weight

612.7 Da

Molecular formula

C₂₆H₃₇FN₆O₆S₂

PubChem

11570805

Nature

Synthetic

Solubility

Soluble in water to 163.2 mM

Soluble in DMSO to 6.52 mM

Soluble in Ethanol to 4.89 mM

Biochemical name

Ralimetinib Mesylate

Biological description

LY 2228820 is a novel and potent p38 MAPK inhibitor with potent anti-inflammatory activity. It significantly inhibited phosphorylation of MAPKAPK2 and/or HSP27, down stream targets of p38MAPK, in both multiple myeloma (MM) cell lines and LT-BMSCs. LY 2228820 is a potential candidate to improve MM patient outcome both by enhancing the effect of Bortezomib (B675700) and by reducing osteoskeletal events. IC₅₀ of 7 nM in a cell-free assay.

Canonical smiles

CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C(C)(C)C)C4=CC=C(C=C4)F)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O

InChi

InChI=1S/C24H29FN6.2CH4O3S/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6;2*1-5(2,3)4/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30);2*1H3,(H,2,3,4)

InChiKey

NARMJPIBAXVUIE-UHFFFAOYSA-N

IUPAC Name

5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid