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2068119-11-7

中文名稱 Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl-
英文名稱 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 結(jié)構(gòu)式 2068119-11-7 結(jié)構(gòu)式

基本信息

中文別名
化合物S18-000003
英文別名
Benzeneacetamide, N-(2,4-difluorophenyl)-4-[[2-[4-(ethylsulfonyl)phenyl]acetyl]amino]-2-fluoro-α,α-dimethyl-

物理化學(xué)性質(zhì)

沸點(diǎn)746.1±60.0 °C(Predicted)
密度1.358±0.06 g/cm3(Predicted)
儲存條件-20°C儲存
溶解度DMSO : 100 mg/mL (192.85 mM; Need ultrasonic)
酸度系數(shù)(pKa)11.82±0.70(Predicted)
形態(tài)Solid
顏色White to yellow

常見問題列表

生物活性
S18-000003 是一種有效,選擇性和具有口服活性的維甲酸相關(guān)孤兒受體 (RORγt) 的抑制劑,在競爭性結(jié)合試驗(yàn)中,對 hRORγt 的 IC50 值小于 30 nM。S18-000003 對于 RORγt 的選擇性高于其他 ROR 家族成員 (IC50s>10μM)。S18-000003 可用于研究銀屑病,并且具有較低的胸腺畸變風(fēng)險(xiǎn)。
靶點(diǎn)

RORγt

<30 nM (IC 50 )

體外研究

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.

體內(nèi)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.

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