2068119-11-7

中文名称 Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl-

英文名称 Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl-

CAS 2068119-11-7

分子式 C26H25F3N2O4S

分子量 518.55

MOL 文件 2068119-11-7.mol

2068119-11-7 结构式

基本信息物理化学性质常见问题列表

基本信息

中文别名

化合物S18-000003

英文别名

Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl-

物理化学性质

沸点746.1±60.0 °C(Predicted)

密度1.358±0.06 g/cm3(Predicted)

储存条件-20°C储存

溶解度DMSO : 100 mg/mL (192.85 mM; Need ultrasonic)

酸度系数(pKa)11.82±0.70(Predicted)

形态Solid

颜色White to yellow

常见问题列表

生物活性

S18-000003 是一种有效，选择性和具有口服活性的维甲酸相关孤儿受体 (RORγt) 的抑制剂，在竞争性结合试验中，对 hRORγt 的 IC50 值小于 30 nM。S18-000003 对于 RORγt 的选择性高于其他 ROR 家族成员 (IC50s>10μM)。S18-000003 可用于研究银屑病，并且具有较低的胸腺畸变风险。

靶点

RORγt

<30 nM (IC ₅₀ )

体外研究

S18-000003 inhibits human and mouse RORγt-dependent transactivation, with IC ₅₀ s of 0.029 and 0.34 μM respectively in cell-based GAL4 promoter reporter assays.
S18-000003 (0.003-0.3 μM; 7 d) dose-dependently inhibits Th17 cell differentiation from human naive CD4 ⁺ T cells, with an IC ₅₀ of 0.024 μM.
S18-000003 (0.1-3 μM; 4 d) inhibits the differentiation of mouse Th17 cells from splenic naive CD4 ⁺ T cells, with an IC ₅₀ of 0.20 μM.
S18-000003 (0.03-1 μM; 3 d) reduces the IL-17 production in human PBMCs in a dose-dependent manner, and does not inhibit either the production of other cytokines (IL-2, IL-4, IL-10 and IFN-g) or cell proliferation.
S18-000003 (0.1-3 μM; 3 d) reduces IL-17 and IL-22 production in PBMCs from psoriatic mice in a dose-dependent manner.

体内研究

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.
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.
S18-000003 (0.5 mg/kg; i.v.) exhibits the half-life (3.2 h), AUC (1930 ng•h/mL), CL _tot (4.33 mL/min/kg) and Vd _ss in rats.
S18-000003 (1 mg/kg; p.o.) exhibits the oral bioavailability (54.5%), C _max (185 ng/mL), AUC (2110 ng•h/mL) and T _max (4 h) in rats.