GRP78-IN-3

• CAT Number: I042280
• CAS Number: 2707510-30-1
• Molecular Formula: C17H18N4O2S
• Molecular Weight: 342.42
• Purity: ≥95%
• Synonyms: N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
• InChI: InChI=1S/C17H18N4O2S/c1-10(2)14(16(23)21-17-18-7-8-24-17)20-15(22)13-9-11-5-3-4-6-12(11)19-13/h3-10,14,19H,1-2H3,(H,20,22)(H,18,21,23)/t14-/m0/s1
• InChIKey: XOWYFNSUXHAORU-AWEZNQCLSA-N
• SMILES: CC(C)C(C(=O)NC1=NC=CS1)NC(=O)C2=CC3=CC=CC=C3N2

GRP78-IN-3 is a selective Grp78 (HSPA5) inhibitor with an IC50 of 0.59 μM. GRP78-IN-3 is 7-fold selective for HspA5 compared to HspA9 (IC50 of 4.3 μM) and >20-fold selective for HspA5 compared to HspA2 (IC50 of 13.9 μM)[1].
GRP78-IN-3 (compound 8) is a potent small-molecule-competitive inhibitor of Hsp70 substrate binding. GRP78-IN-3 (0.1-100 μM) shows more potent inhibition efffects in a spheroid tumor model (U251 glioblastoma cells and H520 lung cancer cells)[1].

Reference

[1]. Andrew J Ambrose, et al. Discovery and Development of a Selective Inhibitor of the ER Resident Chaperone Grp78. J Med Chem. 2022 Dec 14.
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