For research use only. Not for therapeutic Use.
ACT-777991 is an orally active and selective CXCR3 antagonist. ACT-777991 has microsomes and hepatocytes stability across animal models. ACT-777991 inhibits the migration of activated T cells toward CXCL11[1].
ACT-777991 inhibits hEGR with an IC50 value of 26 μM in CHO cells[1].
ACT-777991 (1 μM; 45 min) is stable in microsomes and hepatocytes across humans, rats, and dogs[1].
ACT-777991 (0.01-1 μM; ) inhibits the migration of both human and mouse-activated T cells toward CXCL11 with IC50s range of 3.2-64 nM and 4.9-21 nM, respectively[1].
ACT-777991 (1 nM, 5 nM, 20 nM, and 50 nM) inhibits CXCR3-mediated chemotaxis of human and mouse T cells[1].
ACT-777991 (0.5 mg/kg, 1 mg/kg; i.v.; single dose) has low in vivo plasma clearance in male Wistar rats (14/156) or Beagle dogs (5/15)[1].
ACT-777991 (0.006-2 mg/g food; po; started 3 days before and 72 h post LPS challenge) dose-dependently inhibits chemotaxis of CXCR3+ T cells in vivo in mouse model[1].
| Catalog Number | I041748 |
| CAS Number | 1967811-46-6 |
| Synonyms | 1-[(2R)-2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]-2-(3-methyl-1,2,4-triazol-1-yl)ethanone |
| Molecular Formula | C20H20F6N8O2S |
| Purity | ≥95% |
| InChI | InChI=1S/C20H20F6N8O2S/c1-11-29-10-33(31-11)9-14(36)34-4-3-32(8-13(34)2-5-35)16-15(30-18(37-16)20(24,25)26)12-6-27-17(28-7-12)19(21,22)23/h6-7,10,13,35H,2-5,8-9H2,1H3/t13-/m1/s1 |
| InChIKey | FDZFVXKCJKOSRC-CYBMUJFWSA-N |
| SMILES | CC1=NN(C=N1)CC(=O)N2CCN(CC2CCO)C3=C(N=C(S3)C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F |
| Reference | [1]. Meyer EA, et al. Discovery of Clinical Candidate ACT-777991, a Potent CXCR3 Antagonist for Antigen-Driven and Inflammatory Pathologies. J Med Chem. 2023 Mar 23;66(6):4179-4196. |
