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编 号:F683998
分子式:C15H7F4N3O3
分子量:353.23
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生物活性:
DHODH-IN-14 (Compound 7l) is a hydroxyfurazan analog of A771726. DHODH-IN-14 is a dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 0.49 μM for rat liver DHODH. DHODH-IN-14 can be used for rheumatoid arthritis.

体外研究:
DHODH-IN-14 (Compound 7l) is a hydroxyfurazan analog of A771726, in which the biphenyl scaffold with fluoro substituents. Moving to derivatives DHODH-IN-14, no major differences were observed among the poses obtained on 1UUO and 1D3G; in both cases DHODH-IN-14 is found to bind in a BQN-like fashion, namely with the deprotonated hydroxyfurazan moiety facing Arg136, thus effectively mimicking the carboxyl group of BQN and related compounds. While on 1D3G and 1UUO the hydroxyfurazan is in no case found to interact with Tyr356 in a Leflunomide-like fashion, a significant fraction of such poses is found when 2BXV is used as the docking target.
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