JX-401, p38alpha inhibitor

Key facts

CAS number

349087-34-9

Purity

>98%

Form

Solid

form

Molecular weight

355.5 Da

Molecular formula

C₂₁H₂₅NO₂S

PubChem

1126109

Nature

Synthetic

Solubility

Soluble in DMSO to 75 mM

Soluble in ethanol to 50 mM

Biochemical name

Piperidine, 1-[2-methoxy-4-(methylthio)benzoyl]-4-(phenylmethyl)-

Biological description

Potent, cell-permeable, reversible p38α inhibitor (IC₅₀ = 32 nM). No activity for p38γ isoform. Anti-inflammatory agent. Active in vitro.

Canonical smiles

COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)CC3=CC=CC=C3

InChi

InChI=1S/C21H25NO2S/c1-24-20-15-18(25-2)8-9-19(20)21(23)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3

InChiKey

OMGLGPKQUFSRNN-UHFFFAOYSA-N

IUPAC Name

(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone