YS121

• 常用名: YS121
• 英文名: YS121
• CAS号: 916482-17-2
• 分子量: 407.957
• 密度: 1.3±0.1 g/cm3
• 沸点: 557.4±50.0 °C at 760 mmHg
• 分子式: C₂₀H₂₆ClN₃O₂S
• 熔点: N/A
• 闪点: 290.9±30.1 °C

YS121用途

YS121是微粒体前列腺素E2合成酶-1(mPGES-1；IC50=3.4μM)和5-脂氧合酶(5-LOX；IC50=6.5μM)的双重抑制剂。YS121剂量依赖性地减少IL-1β刺激的A549细胞中PGE2的产生,EC50=12μM【1】。

YS121名称

• 英文名: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyloctanoic acid

YS121生物活性

• 描述: YS121是微粒体前列腺素E2合成酶-1(mPGES-1；IC50=3.4μM)和5-脂氧合酶(5-LOX；IC50=6.5μM)的双重抑制剂。YS121剂量依赖性地减少IL-1β刺激的A549细胞中PGE2的产生,EC50=12μM【1】。
• 相关类别:
  研究领域 >> 炎症/免疫
  信号通路 >> 免疫及炎症 >> PGE合成酶
  信号通路 >> 代谢酶/蛋白酶 >> 5脂氧合酶
• 参考文献:

  [1]. Hui-Hua Chang, et al. Identification and development of mPGES-1 inhibitors: where we are at?. Future Med Chem. 2011 Nov;3(15):1909-34.

YS121物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 557.4±50.0 °C at 760 mmHg
• 分子式: C₂₀H₂₆ClN₃O₂S
• 分子量: 407.957
• 闪点: 290.9±30.1 °C
• 精确质量: 407.143433
• PSA: 100.41000
• LogP: 7.93
• InChIKey: HVJBWTVMRIOTEL-UHFFFAOYSA-N
• SMILES: CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.601
• 储存条件: -20°C，密闭，干燥

YS121靶点实验

查看更多实验

实验名称：Agonist activity at human PPARdelta LBD expressed in COS7 cells at 10 uM after 12 hrs... 来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor delta External Id：CHEMBL3368590

实验名称：Inhibition of human recombinant COX2 来源：ChEMBL 靶标：Prostaglandin G/H synthase 2 External Id：CHEMBL1012766

实验名称：Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-... 来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma External Id：CHEMBL3368588

实验名称：Activation of human PPARgamma ligand binding domain expressed in COS7 cells by lucife... 来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma External Id：CHEMBL3366032

实验名称：Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-... 来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma External Id：CHEMBL3368589

实验名称：Transactivation of human PPARgamma LBD expressed in african green monkey Cos7 cells c... 来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma External Id：CHEMBL1116012

实验名称：Inhibition of mPGES-1 derived from LPS stimulated mouse RAW264.7 cells microsomal fra... 来源：ChEMBL 靶标：Prostaglandin E synthase External Id：CHEMBL2049918

实验名称：Transactivation of human PPARgamma LBD expressed in african green monkey Cos7 cells c... 来源：ChEMBL 靶标：Peroxisome proliferator-activated receptor gamma External Id：CHEMBL1116011

实验名称：Inhibition of mPGES-1 derived from LPS stimulated mouse NIH3T3 cells microsomal fract... 来源：ChEMBL 靶标：Prostaglandin E synthase External Id：CHEMBL2049919

实验名称：Inhibition of 5-LO in PMNL cells 来源：ChEMBL 靶标：Polyunsaturated fatty acid 5-lipoxygenase External Id：CHEMBL1012771

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YS121英文别名

• YS121
• Pirinixic acid-based compound,6a
• 2-({4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl}sulfanyl)octanoic acid