Description
DHODH-IN-13 (Compound 7a) is a hydroxyfurazan analog of A771726. DHODH-IN-13 is a dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 4.3 μM for rat liver DHODH. DHODH-IN-13 can be used for rheumatoid arthritis.
Product information
CAS Number: 1364791-86-5
Molecular Weight: 273.17
Formula: C10H6F3N3O3
Chemical Name: 4-oxo-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2,5-oxadiazole-3-carboxamide
Smiles: O=C(NC1C=CC(=CC=1)C(F)(F)F)C1=NONC1=O
InChiKey: SYZRMPPEMZWUSK-UHFFFAOYSA-N
InChi: InChI=1S/C10H6F3N3O3/c11-10(12,13)5-1-3-6(4-2-5)14-8(17)7-9(18)16-19-15-7/h1-4H,(H,14,17)(H,16,18)
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-13 (Compound 7a) is a hydroxyfurazan analog of A771726 and is stable under physiological conditions. When DHODH-IN-13 is docked in silico at the DHODH active site, a BQN-like pose is obtained with the deprotonated furazan hydroxyl facing Arg136 instead of Tyr356, thus effectively mimicking the carboxyl group of BQN and related compounds.
Products are for research use only. Not for human use.
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