SOCE inhibitor 1

• CAT Number: I019084
• CAS Number: 2169316-15-6
• Molecular Formula: C25H22F3N5O4
• Molecular Weight: 513.47
• Purity: ≥95%
• Synonyms: 3-[1-[4-[4-pentan-2-yloxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]benzoic acid
• InChI: InChI=1S/C25H22F3N5O4/c1-3-5-15(2)37-24(36)20-13-29-33(22(20)25(26,27)28)19-10-8-18(9-11-19)32-14-21(30-31-32)16-6-4-7-17(12-16)23(34)35/h4,6-15H,3,5H2,1-2H3,(H,34,35)
• InChIKey: ZAJXAJYMOCWUGX-UHFFFAOYSA-N
• SMILES: CCCC(C)OC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)N3C=C(N=N3)C4=CC(=CC=C4)C(=O)O)C(F)(F)F

SOCE inhibitor 1 is a store-operated calcium entry (SOCE) inhibitor with an IC50 of 4.4 μM.

Reference

[1]. Riva B, et al. Pyrtriazoles, a Novel Class of Store-Operated Calcium Entry Modulators: Discovery, Biological Profiling, and in Vivo Proof-of-Concept Efficacy in Acute Pancreatitis. J Med Chem. 2018 Nov 8;61(21):9756-9783.
 [Content Brief]