For research use only. Not for therapeutic Use.
AFM32a (PAD2-IN-1) hydrochloride, a benzimidazole-based derivative, is a potent and selective protein arginine deiminase 2 (PAD2) inhibitor. AFM32a hydrochloride shows superior selectivity for PAD2 over PAD4 (95-fold) and PAD3 (79-fold)[1].
In the target engagement assay, the EC 50 of AFM32a (compound 32a) hydrochloride is 8.3 μM in HEK293T/PAD2 cells, the enhanced potency of AFM32a overcomes its relatively poor ability to enter cells[1].
AFM32a (compound 32a; 1-25 μM) hydrochloride treatment strongly inhibits histone H3 citrullination with an EC 50 of 2.7 μM in HEK293T/PAD2 cells[1].
| Catalog Number | I042845 |
| CAS Number | 2988594-85-8 |
| Synonyms | N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(4-ethoxy-1-methylbenzimidazol-2-yl)butyl]-3-oxo-1,2-dihydroisoindole-4-carboxamide;hydrochloride |
| Molecular Formula | C25H30ClFN6O3 |
| Purity | ≥95% |
| InChI | InChI=1S/C25H29FN6O3.ClH/c1-3-35-19-11-5-10-18-22(19)31-23(32(18)2)17(9-6-12-28-20(27)13-26)30-24(33)16-8-4-7-15-14-29-25(34)21(15)16;/h4-5,7-8,10-11,17H,3,6,9,12-14H2,1-2H3,(H2,27,28)(H,29,34)(H,30,33);1H/t17-;/m0./s1 |
| InChIKey | PSVXWWOSYOYZKQ-LMOVPXPDSA-N |
| SMILES | CCOC1=CC=CC2=C1N=C(N2C)C(CCCN=C(CF)N)NC(=O)C3=CC=CC4=C3C(=O)NC4.Cl |
| Reference | [1]. Aaron Muth, et al. Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J Med Chem. 2017 Apr 13;60(7):3198-3211. |
