For research use only. Not for therapeutic Use.
PAD-IN-2 is a potent pad4 inhibitor (IC50: <1 μM). PAD-IN-2 can be used in the research of auto-immune diseases and cancers, such as rheumatoid arthritis, vasculitis, systemic lupus erythematosis, cutaneous lupus erythematosis, ulcerative colitis, cystic fibrosis, asthma, multiple sclerosis and psoriasis[1].
PAD-IN-2 (Example-57, 1 h) inhibits PAD4 activity with an IC50 value <1 μM (determined by ammonia release biochemical assay)[1].
| Catalog Number | I042935 |
| CAS Number | 2304852-21-7 |
| Synonyms | [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-(cyclopropylmethyl)indol-2-yl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone |
| Molecular Formula | C27H28ClN5O2 |
| Purity | ≥95% |
| InChI | InChI=1S/C27H28ClN5O2/c28-20-5-1-3-17-12-22(33(24(17)20)14-16-6-7-16)26-30-21-11-18(13-23-25(21)32(26)9-10-35-23)27(34)31-8-2-4-19(29)15-31/h1,3,5,11-13,16,19H,2,4,6-10,14-15,29H2/t19-/m1/s1 |
| InChIKey | VWMILHOMRPKNRL-LJQANCHMSA-N |
| SMILES | C1CC(CN(C1)C(=O)C2=CC3=C4C(=C2)OCCN4C(=N3)C5=CC6=C(N5CC7CC7)C(=CC=C6)Cl)N |
| Reference | [1]. Hallur, Gurulingappa, et al. Heterocyclic compounds as pad4 inhibitors. Patent WO2019058393 A1. |
