For research use only. Not for therapeutic Use.
ATX inhibitor 1 is a potent ATX (IC50=1.23 nM, FS-3 and 2.18 nM, bis-pNPP) inhibitor.
| Catalog Number | I019532 |
| CAS Number | 2225892-70-4 |
| Synonyms | [4-[[1-[(3,5-dichlorophenyl)methoxycarbonyl]piperidine-4-carbonyl]amino]phenyl]methylphosphonic acid |
| Molecular Formula | C21H23Cl2N2O6P |
| Purity | ≥95% |
| InChI | InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30) |
| InChIKey | CYOVYGWNDHLPBF-UHFFFAOYSA-N |
| SMILES | C1CN(CCC1C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)C(=O)OCC3=CC(=CC(=C3)Cl)Cl |
| Reference | [1]. Balupuri A, et al. Discovery and optimization of ATX inhibitors via modeling, synthesis and biological evaluation. Eur J Med Chem. 2018 Mar 25;148:397-409. |
