| Identification | Back Directory | [Name]
Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl- | [CAS]
2068119-11-7 | [Synonyms]
Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl- | [Molecular Formula]
C26H25F3N2O4S | [MDL Number]
MFCD32067918 | [MOL File]
2068119-11-7.mol | [Molecular Weight]
518.55 |
| Chemical Properties | Back Directory | [Boiling point ]
746.1±60.0 °C(Predicted) | [density ]
1.358±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 100 mg/mL (192.85 mM; Need ultrasonic) | [form ]
Solid | [pka]
11.82±0.70(Predicted) | [color ]
White to yellow |
| Hazard Information | Back Directory | [Uses]
S18-000003 is a potent, selective and orally active inhibitor of retinoic acid receptor-related orphan receptor-gamma-t (RORγt), with an IC50 of <30 nM towards human RORγt in competitive binding assays. S18-000003 shows selectivity for RORγt over other ROR family members (IC50>10 μM). S18-000003 can be used for the research of psoriasis with low risk of thymic aberrations[1][2]. | [in vivo]
S18-000003 (30-100 mg/kg; p.o.) inhibits IL-17 production in the skin of IL-23-treated mice in a dose-dependent manner[1].
S18-000003 (0.1-8%; 100mL; topically administration once daily for 14 days) ameliorates psoriasis-like lesions in TPA-induced K14.Stat3C transgenic mice, and has little impact on the thymus[2].
S18-000003 (0.5 mg/kg; i.v.) exhibits the half-life (3.2 h), AUC (1930 ng h/mL), CLtot (4.33 mL/min/kg) and Vdss in rats[1].
S18-000003 (1 mg/kg; p.o.) exhibits the oral bioavailability (54.5%), Cmax (185 ng/mL), AUC (2110 ng h/mL) and Tmax (4 h) in rats[1]. | [IC 50]
RORγt: <30 nM (IC50) | [References]
[1] Sasaki Y, et, al. Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (RORγt) inhibitor, S18-000003. Bioorg Med Chem Lett. 2018 Dec 1;28(22):3549-3553. DOI:10.1016/j.bmcl.2018.09.032
[2] Imura C, et, al. A novel RORγt inhibitor is a potential therapeutic agent for the topical treatment of psoriasis with low risk of thymic aberrations. J Dermatol Sci. 2019 Mar;93(3):176-185. DOI:10.1016/j.jdermsci.2019.03.002 |
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| Company Name: |
InvivoChem
|
| Tel: |
13549236410 |
| Website: |
https://www.invivochem.cn/ |
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