DHODH-IN-15 (Compound 7b) is a hydroxyfurazan analog 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.

Product information

CAS Number: 1364791-88-7

Molecular Weight: 281.27

Formula: C15H11N3O3

Chemical Name: N-{[1,1'-biphenyl]-4-yl}-4-oxo-4,5-dihydro-1,2,5-oxadiazole-3-carboxamide

Smiles: O=C(NC1C=CC(=CC=1)C1C=CC=CC=1)C1=NONC1=O

InChiKey: AIEVBDCDOIKIIK-UHFFFAOYSA-N

InChi: InChI=1S/C15H11N3O3/c19-14(13-15(20)18-21-17-13)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,16,19)(H,18,20)

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

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.

Products are for research use only. Not for human use.