NRP1 antagonist 1

• CAT Number: I043584
• CAS Number: 2569598-01-0
• Molecular Formula: C22H22N6OS2
• Molecular Weight: 450.58
• Purity: ≥95%
• Synonyms: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(3-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• InChI: InChI=1S/C22H22N6OS2/c1-4-19-24-26-21(31-19)23-18(29)13-30-22-27-25-20(16-10-8-14(2)9-11-16)28(22)17-7-5-6-15(3)12-17/h5-12H,4,13H2,1-3H3,(H,23,26,29)
• InChIKey: OWXHHEPYWMHKHC-UHFFFAOYSA-N
• SMILES: CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)C4=CC=C(C=C4)C

NRP1 antagonist 1 (compound 12a) is a potent NRP1 antagonist with an IC50 of 19.1 μM. NRP1 antagonist 1 has the potential for cancer research[1].

Reference

[1]. Kewen Peng, et al. Discovery of novel nonpeptide small-molecule NRP1 antagonists: Virtual screening, molecular simulation and structural modification. Bioorg Med Chem. 2020 Jan 1;28(1):115183.
 [Content Brief]