| Identification | Back Directory | [Name]
Ethanone, 1-[(2R)-2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)-5-pyrimidinyl]-5-thiazolyl]-1-piperazinyl]-2-(3-methyl-1H-1,2,4-triazol-1-yl)- | [CAS]
1967811-46-6 | [Synonyms]
ACT-777991
Ethanone, 1-[(2R)-2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)-5-pyrimidinyl]-5-thiazolyl]-1-piperazinyl]-2-(3-methyl-1H-1,2,4-triazol-1-yl)- | [Molecular Formula]
C20H20F6N8O2S | [MOL File]
1967811-46-6.mol | [Molecular Weight]
550.48 |
| Chemical Properties | Back Directory | [Boiling point ]
647.5±65.0 °C(Predicted) | [density ]
1.65±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
15.11±0.10(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
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]. | [in vivo]
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].
| Animal Model: | LPS challenge model in mice[1] | | Dosage: | 0.006, 0.02, 0.06, 0.2, 0.6, and 2 mg per g of food | | Administration: | PO; started 3 days before LPS challenge and continued up to the end of the study (72 h post LPS challenge) | | Result: | Reduced the number of BAL CD8+ T cells in a dose-dependent manner. |
| [IC 50]
CXCR3 | [References]
[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. DOI:10.1021/acs.jmedchem.3c00074 |
|
|