1802251-00-8
中文名称 | 1802251-00-8 |
---|---|
中文同义词 | 化合物GSK1379725A;3-(3-(1-(2-((4-氟苯基)氨基)嘧啶-4-基)吡咯烷-3-基)脲基)苯甲酸甲酯 |
英文名称 | GSK1379725A |
英文同义词 | GSK1379725A;Benzoic acid, 3-[[[[1-[2-[(4-fluorophenyl)amino]-4-pyrimidinyl]-3-pyrrolidinyl]amino]carbonyl]amino]-, methyl ester;inhibit,Inhibitor,GSK1379725A,Epigenetic Reader Domain,GSK-1379725A;GSK1379725A (AU1);Methyl 3-(3-(1-(2-((4-fluorophenyl)amino)pyrimidin-4-yl)pyrrolidin-3-yl)ureido)benzoate |
CAS号 | 1802251-00-8 |
分子式 | C23H23FN6O3 |
分子量 | 450.47 |
EINECS号 | |
相关类别 | |
Mol文件 | 1802251-00-8.mol |
结构式 |
1802251-00-8 性质
密度 | 1.39±0.1 g/cm3(Predicted) |
---|---|
储存条件 | Store at -20°C |
溶解度 | 二甲基亚砜:83.33 mg/mL(184.98 mM) |
形态 | 固体 |
酸度系数(pKa) | 12.94±0.20(Predicted) |
颜色 | 白色至米白色 |
From the NMR titration of GSK1379725A, the bound and unbound resonances are separated by 171 Hz, providing an upper bound for the chemical exchange rate. Assuming an association rate of 1×10 8 M -1 s -1 as a high end for a range of protein-small molecule interactions, (e.g., chymotrypsin: proflavin k 1 =1.2×10 8 M -1 s -1 ), an upper K d of 8 μM is estimated from this experiment. For a more accurate determination with a non-fluorinated protein, ITC is used as a complementary direct binding assay using unlabeled BPTF. A K d of 2.8 μM is obtained, consistent with our intermediate exchange resonance broadening by PrOF NMR. Although GSK1379725A has been demonstrated to be selective over Brd4, a full selectivity panel against other bromodomains will be needed. A database search using ChEMBL only showed GSK1379725A to be active in five cellular assays with an EC 50 of 500 nM carried out. Additionally, no kinase activity has been reported for GSK1379725A despite the growing screening use of the PKIS library.
安全信息
更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
---|---|---|---|---|---|
2024/04/30 | HY-112398 | GSK1379725A | 1 mg | 1104元 | |
2024/04/30 | HY-112398 | 1802251-00-8 GSK1379725A | 1802251-00-8 | 5mg | 2500元 |