DHODH-IN-15

Research use only, not for human use.

DHODH-IN-15 is the hydroxyfuran analogue of A771726.

DHODH-IN-15 is the hydroxyfuran analogue of A771726. DHODH-IN-15 is a dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 11 μM for rat liver DHODH. DHODH-IN-15 can be used for rheumatoid arthritis.(In Vitro):DHODH-IN-15 is a hydroxyfuran analogue of A771726, in which the biphenyl skeleton does not carry any substituents. Turning to the derivative DHODH-IN-15, no major differences were observed between the poses obtained on 1UUO and 1D3G. In both cases, DHODH-IN-15 was found to bind in a BQN-like manner, ie, the deprotonated hydroxyfuran part faced Arg136, thus effectively mimicking the carboxyl groups of BQN and related compounds. On 1D3G and 1UUO, in any case, no interaction of Tyr356 with Leflunomide was found, but when 2BXV was used as a docking target, a large part of this posture was found.

DHODH-IN-15 (Compound 7b) is a hydroxyfurazan analog of A771726, in which the biphenyl scaffold does not bear any substituent. Moving to derivatives DHODH-IN-15, no major differences were observed among the poses obtained on 1UUO and 1D3G; in both cases DHODH-IN-15 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.

——

——

Metabolic Enzyme/Protease

Dehydrogenase

——

——

——

1364791-88-7

281.271

C15H11N3O3

>98% (HPLC)

——

O=C(Nc1ccc(cc1)-c1ccccc1)c1no[nH]c1=O

——

(-20℃)

With Ice Pack

≥ 2 years