DHODH-IN-14

Research use only, not for human use.

DHODH-IN-14 is an analog of hydroxyfuran pyrimidine A771726.

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.(In Vitro):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.

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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Metabolic Enzyme/Protease

Dehydrogenase

E3 Ligase Ligand-Linker Conjugate

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1364791-93-4

353.233

C15H7F4N3O3

>98% (HPLC)

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Fc1c(F)c(-c2ccccc2)c(F)c(F)c1NC(=O)c1no[nH]c1=O

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(-20℃)

With Ice Pack

≥ 2 years