JAB-3068 hydrochloride

For research use only. Not for therapeutic Use.

  • CAT Number: I045471
  • CAS Number: 2169223-49-6
  • Molecular Formula: C22H27ClF2N6O2S
  • Molecular Weight: 513.00
  • Purity: ≥95%
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JAB-3068 hydrochloride (Cat No.:I045471) is an irreversible, covalent inhibitor of c-Jun N-terminal kinase (JNK), a stress-activated MAP kinase involved in regulating apoptosis, inflammation, and cellular responses to stress. By covalently binding to JNK, JAB-3068 blocks phosphorylation of downstream targets, reducing pro-inflammatory cytokine production and apoptosis signaling. The hydrochloride salt form enhances solubility and stability for experimental use. It is investigated for potential therapeutic applications in inflammatory diseases, cancer, and fibrosis, and serves as a research tool for studying JNK-mediated signaling pathways in disease progression.


CAS Number 2169223-49-6
Synonyms

1-[4-[3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-3,3-difluoro-2H-indol-1-yl]ethanone;hydrochloride

Molecular Formula C22H27ClF2N6O2S
Purity ≥95%
InChI InChI=1S/C22H26F2N6O2S.ClH/c1-13(31)30-11-22(23,24)18-14(30)3-2-4-15(18)33-20-19(26)28-17(9-27-20)29-7-5-21(6-8-29)12-32-10-16(21)25;/h2-4,9,16H,5-8,10-12,25H2,1H3,(H2,26,28);1H/t16-;/m1./s1
InChIKey CVTYVQDHPFFBBF-PKLMIRHRSA-N
SMILES CC(=O)N1CC(C2=C1C=CC=C2SC3=NC=C(N=C3N)N4CCC5(CC4)COCC5N)(F)F.Cl
Reference

[1]. Cunbo Ma, et al. Novel heterocyclic derivatives useful as shp2 inhibitors. WO2017211303A1.

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