| Identification | Back Directory | [Name]
Benzeneacetic acid, 4-[[[[[2,6-dichloro-2'-(trifluoromethoxy)[1,1'-biphenyl]-4-yl]amino]carbonyl]amino]methyl]- | [CAS]
2170477-75-3 | [Synonyms]
RORγt inverse agonist 13
Benzeneacetic acid, 4-[[[[[2,6-dichloro-2'-(trifluoromethoxy)[1,1'-biphenyl]-4-yl]amino]carbonyl]amino]methyl]- | [Molecular Formula]
C23H17Cl2F3N2O4 | [MOL File]
2170477-75-3.mol | [Molecular Weight]
513.29 |
| Chemical Properties | Back Directory | [Boiling point ]
552.9±50.0 °C(Predicted) | [density ]
1.470±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 100 mg/mL (194.82 mM; Need ultrasonic) | [form ]
Solid | [pka]
4.30±0.10(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Biological Activity]
RORγt inverse agonist 13 (Compound 3i) is a potent, orally active and selective RORγt inverse agonist, with improved drug-like properties, with an IC50 of 63.8 nM[1].
RORγt inverse agonist 13 (Compound 3i) exhibits activity with an inhibition of 76% at 0.3 μM in Th17 cell differentiation assay[1].
RORγt inverse agonist 13 (Compound 3i, 25 mg/kg, Orally, twice daily) demonstrats excellent in vivo PK profile in mice and good in vivo efficacy in an IMQ-induced psoriasis mice model[1]. | [storage]
Store at -20°C | [References]
[1]. Nannan Sun, et al. Discovery of carboxyl-containing biaryl ureas as potent RORγt inverse agonists. Eur J Med Chem. 2020 Jul 5;202:112536. |
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