Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl-
- Product Name
- Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl-
- CAS No.
- 2068119-11-7
- Chemical Name
- Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl-
- Synonyms
- S18-000003, 10 mM in DMSO;N-(2,4-Difluorophenyl)-2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)-2-fluorophenyl)-2-methylpropanamide;Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl-;orphan,aberrations,ROR,acid,S18-000003,psoriasis,Inhibitor,RAR-related orphan receptor,retinoic,receptor-related,S18 000003,S-18-000003,RORγt,thymic,inhibit,S18000003
- CBNumber
- CB85487404
- Molecular Formula
- C26H25F3N2O4S
- Formula Weight
- 518.55
- MOL File
- 2068119-11-7.mol
Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl- Property
- 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
N-Bromosuccinimide Price
- Product number
- CS-0067921
- Product name
- S18-000003
- Purity
- 99.26%
- Packaging
- 5mg
- Price
- $350
- Updated
- 2021/12/16
- Product number
- CS-0067921
- Product name
- S18-000003
- Purity
- 99.26%
- Packaging
- 10mg
- Price
- $580
- Updated
- 2021/12/16
- Product number
- CS-0067921
- Product name
- S18-000003
- Purity
- 99.26%
- Packaging
- 25mg
- Price
- $1100
- Updated
- 2021/12/16
- Product number
- CS-0067921
- Product name
- S18-000003
- Purity
- 99.26%
- Packaging
- 50mg
- Price
- $1700
- Updated
- 2021/12/16
- Product number
- CS-0067921
- Product name
- S18-000003
- Purity
- 99.26%
- Packaging
- 100mg
- Price
- $2500
- Updated
- 2021/12/16
Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl- Chemical Properties,Usage,Production
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
Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl- Preparation Products And Raw materials
Raw materials
Preparation Products
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