DHODH-IN-14是一种 A771726 的 hydroxyfurazan 类似物。DHODH-IN-14 是一种二氢乳清酸脱氢酶 (DHODH) 抑制剂,对大鼠肝脏 DHODH 的 IC50 为 0.49 μM。DHODH-IN-14 可用于类风湿关节炎。
产品描述
DHODH-IN-14 is an analog of hydroxyfuran pyrimidine A771726. DHODH-IN-14 is a dihydroorotate dehydrogenase (DHODH) inhibitor IC50 0.49 μM mouse liver DHODH. DHODH-IN-14 can be used for rheumatoid arthritis.
体外活性
DHODH-IN-14 is a hydroxyfuran analog of A771726, which contains a biphenyl scaffold with a fluorine substituent. Turning to the derivative DHODH-IN-14, no major differences were observed between the poses obtained on 1UUO and 1D3G. In both cases, it was found that DHODH-IN-14 was bound in a BQN-like manner, that is, the deprotonated hydroxyfuran part faced Arg136, thus effectively mimicking the carboxyl groups of BQN and related compounds. Although it was not found on 1D3G and 1UUO that hydroxyfuran interacted with Tyr356 in a similar way to leflunomide, when 2BXV was used as a docking target, a large portion of such postures were found[1].
Cas No.
1364791-93-4
分子式
C15H7F4N3O3
分子量
353.23
储存和溶解度
(< 1 mg/ml refers to the product slightly soluble or insoluble )
Powder: -20°C for 3 years
In solvent: -80°C for 2 years