Legumain inhibitor 1

• CAT Number: I044333
• CAS Number: 2361157-34-6
• Molecular Formula: C23H25N5O4S
• Molecular Weight: 467.54
• Purity: ≥95%
• Synonyms: N-[(1S)-3-amino-1-cyano-3-oxopropyl]-2,2-dimethyl-3-[4-(1-methylindazol-5-yl)phenyl]sulfonylpropanamide
• InChI: InChI=1S/C23H25N5O4S/c1-23(2,22(30)27-18(12-24)11-21(25)29)14-33(31,32)19-7-4-15(5-8-19)16-6-9-20-17(10-16)13-26-28(20)3/h4-10,13,18H,11,14H2,1-3H3,(H2,25,29)(H,27,30)/t18-/m0/s1
• InChIKey: VSSJIMWXYOLCSR-SFHVURJKSA-N
• SMILES: CC(C)(CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(N=C3)C)C(=O)NC(CC(=O)N)C#N

Legumain inhibitor 1 is a potent and selective Legumain inhibitor with an IC50 of 3.6 nM. Legumain inhibitor 1 can be used for cancer research[1].
Legumain inhibitor 1 (Compound 16i) shows high microsomal stability with half-life’s in excess of 8 h (mouse and human MICs; CLint > 3 μL/min/mg)[1].

Reference

[1]. Sharon L Eddie, et al. Identification and SAR exploration of a novel series of Legumain inhibitors. Bioorg Med Chem Lett. 2019 Jun 15;29(12):1546-1548.
 [Content Brief]