For research use only. Not for therapeutic Use.
AFM-30a hydrochloride is a potent protein arginine deiminase 2 (PAD2) inhibitor and has excellent PAD2-selectivity. AFM-30a hydrochloride binds to PAD2 with an EC50 value of 9.5 μM. AFM-30a hydrochloride also inhibits H3 citrullination with an EC50 value of 0.4 μM. AFM-30a hydrochloride can be used for the research of certain cancers and a variety of autoimmune diseases including rheumatoid arthritis (RA), multiple sclerosis, lupus, and ulcerative colitis[1].
AFM-30a hydrochloride (compound 30a; 25 μM) has good potency to enter HEK293T/PAD2 cells and covalent modify PAD2 with an EC50 of 9.5 μM[1].
AFM-30a hydrochloride shows good ability to inhibit H3 citrullination with an EC50 of 0.4 μM[1].
AFM-30a hydrochloride suppresses NLRP3 signaling and decreases airway remodeling in PAD2-/-transgenic mice[2].
| Catalog Number | I042713 |
| Synonyms | N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(4-methoxy-1-methylbenzimidazol-2-yl)butyl]-3-oxo-1,2-dihydroisoindole-4-carboxamide;hydrochloride |
| Molecular Formula | C24H28ClFN6O3 |
| Purity | ≥95% |
| InChI | InChI=1S/C24H27FN6O3.ClH/c1-31-17-9-4-10-18(34-2)21(17)30-22(31)16(8-5-11-27-19(26)12-25)29-23(32)15-7-3-6-14-13-28-24(33)20(14)15;/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H2,26,27)(H,28,33)(H,29,32);1H/t16-;/m0./s1 |
| InChIKey | HDGZNBCVLSJSHI-NTISSMGPSA-N |
| SMILES | CN1C2=C(C(=CC=C2)OC)N=C1C(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. [2]. R. Surolia, et al. Role of PAD2 Regulated Inflammasome Signaling in Arsenic Induced Airway Inflammation and Remodeling. American Journal of Respiratory and Critical Care Medicine 2020;201:A2976. |
