SHP2-IN-9

• CAT Number: I043934
• CAS Number: 2987135-92-0
• Molecular Formula: C20H20FN3O2S
• Molecular Weight: 385.46
• Purity: ≥95%
• Synonyms: N-[(4-fluorophenyl)methyl]-2-(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-4-yl)acetamide
• InChI: InChI=1S/C20H20FN3O2S/c21-14-8-6-13(7-9-14)10-22-17(25)11-24-12-23-19-18(20(24)26)15-4-2-1-3-5-16(15)27-19/h6-9,12H,1-5,10-11H2,(H,22,25)
• InChIKey: XMJVKWKUTXOIKU-UHFFFAOYSA-N
• SMILES: C1CCC2=C(CC1)SC3=C2C(=O)N(C=N3)CC(=O)NCC4=CC=C(C=C4)F

SHP2-IN-9 is a specific SHP2 inhibitor (IC50 =1.174 μM) with enhanced blood–brain barrier penetration. SHP2-IN-9 shows 85-fold more selective for SHP2 than SHP1. SHP2-IN-9 inhibits SHP2-mediated cell signal transduction and cancer cell proliferation, and inhibits the growth of cervix cancer tumors and glioblastoma growth in vivo[1].
SHP2-IN-9 (compound 2) could effectively inhibit SHP2-mediated cell signaling pathways in cancer (cervix cancer, human pancreatic cancer, large cell lung cancer and mouse glioma cell) by inhibiting the phosphorylation of Paxillin, affecting the regulation of the PI3K/AKT pathway and cell proliferation by causing the cell cycle arrest and inducing the early apoptosis[1].

Reference

[1]. Ma Y, et al. Structure-based discovery of a specific SHP2 inhibitor with enhanced blood-brain barrier penetration from PubChem database. Bioorg Chem. 2022;121:105648.
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