5-[4-苯基-5-(三氟甲基)-2-噻吩基]-3-[3-(三氟甲基)苯基]-1,2,4-恶二唑

• 常用名: 5-[4-苯基-5-(三氟甲基)-2-噻吩基]-3-[3-(三氟甲基)苯基]-1,2,4-恶二唑
• 英文名: SEW2871
• CAS号: 256414-75-2
• 分子量: 440.362
• 密度: 1.4±0.1 g/cm3
• 沸点: 490.3±55.0 °C at 760 mmHg
• 分子式: C₂₀H₁₀F₆N₂OS
• 熔点: 94.5-95.3ºC
• 闪点: 250.3±31.5 °C
• 符号: GHS06
• 信号词: Danger

用途

SEW2871 是高度选择性的,具有口服活性的 S1P1 激动剂,EC50 为 13.8 nM。SEW2871 激活 ERK,Akt 和 Rac 信号通路,并诱导 S1P1 内在化和再循环。SEW2871 减少血液中的淋巴细胞数量,并在糖尿病,阿尔茨海默氏病,肝纤维化和炎症反应方面具有治疗意义。

名称

• 中文名: 5-[4-苯基-5-(三氟甲基)-2-噻吩]-3-[3-(三氟甲基)苯基]-1,2,4-噁二唑
• 英文名: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• 中文别名: 5-[4-苯基-5-(三氟甲基)-2-噻吩基]-3-[3-(三氟甲基)苯基]-1,2,4-恶二唑

生物活性

• 描述: SEW2871 是高度选择性的,具有口服活性的 S1P1 激动剂,EC50 为 13.8 nM。SEW2871 激活 ERK,Akt 和 Rac 信号通路,并诱导 S1P1 内在化和再循环。SEW2871 减少血液中的淋巴细胞数量,并在糖尿病,阿尔茨海默氏病,肝纤维化和炎症反应方面具有治疗意义。
• 靶点实验:

  EC50: 13.8 nM (S1P1)[2]

• 参考文献:

  [1]. Park SJ, et al. Sphingosine 1-Phosphate Receptor Modulators and Drug Discovery. Biomol Ther (Seoul). 2017 Jan 1;25(1):80-90.

  [2]. Jo E, et al. S1P1-selective in vivo-active agonists from high-throughput screening: off-the-shelf chemical probes of receptor interactions, signaling, and fate. Chem Biol. 2005 Jun;12(6):703-15.

  [3]. Dong J, et al. Oral treatment with SEW2871, a sphingosine-1-phosphate type 1 receptor agonist, ameliorates experimental colitis in interleukin-10 gene deficient mice. Clin Exp Immunol. 2014 Jul;177(1):94-101.

物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 490.3±55.0 °C at 760 mmHg
• 熔点: 94.5-95.3ºC
• 分子式: C₂₀H₁₀F₆N₂OS
• 分子量: 440.362
• 闪点: 250.3±31.5 °C
• 精确质量: 440.041809
• PSA: 67.16000
• LogP: 8.42
• InChIKey: OYMNPJXKQVTQTR-UHFFFAOYSA-N
• SMILES: FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)c1
• 外观性状: 白色固体
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.535
• 储存条件: 2-8°C，避光干燥密封

安全信息

• 符号: GHS06
• 信号词: Danger
• 危害声明: H300
• 警示性声明: P264-P301 + P310
• 个人防护装备: Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
• 危害码 (欧洲): T: Toxic;
• 风险声明 (欧洲): 25
• 安全声明 (欧洲): 45
• 危险品运输编码: UN 2811 6.1/PG 3

靶点实验

查看更多实验

实验名称：This assay (PMID: 37558952) monitors the impact of a chemical compound on general aut... 来源：ChEMBL 靶标：TERT-RPE1 External Id：CHEMBL5724699

实验名称：This assay (PMID: 37558952) monitors the impact of a chemical compound on general aut... 来源：ChEMBL 靶标：U2OS External Id：CHEMBL5724701

实验名称：Thermal Shift Assay. Domain: start/stop: M1-L298 来源：ChEMBL 靶标：Cyclin-dependent kinase 2 External Id：CHEMBL5062802

实验名称：This assay (PMID: 37558952) monitors the impact of a chemical compound on ER-phagy fl... 来源：ChEMBL 靶标：U2OS External Id：CHEMBL5724700

实验名称：Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A External Id：HMS1315

实验名称：Tocris HTS for Inhibitors of Aerobactin Synthetase lucA 来源：23265 External Id：IucA Pilot Assay Tocris Library

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Thermal Shift Assay. Domain: start/stop: M26-R383 来源：ChEMBL 靶标：Glycogen synthase kinase-3 beta External Id：CHEMBL5065595

实验名称：EZH2/PRC2 methyltransferase inhibitors Measured in Biochemical System Using Plate Rea... 来源：Broad Institute 靶标：histone-lysine N-methyltransferase EZH2 isoform a [Homo sapiens] External Id：2125-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：A screen for small molecules that modulate mitochondrial supercomplex formation 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A External Id：HMS1482

共124条，当前第1页，共13页

1

2

3

4

5

英文别名

• 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]- 1,2,4-oxadiazole
• 5-[4-phenyl-5-(trifluoromethyl)thien-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole