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N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide , CAS No.N608834, Inhibitor of dihydroorotate dehydrogenase (quinone)
Basic Description Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of dihydroorotate dehydrogenase (quinone)
Associated Targets(Human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide INCHI InChI=1S/C20H19ClF4N6O4/c1-4-30-13(8-32)29-31(19(30)34)16-12(22)7-11(18(28-16)35-10(3)20(23,24)25)17(33)27-14-9(2)5-6-26-15(14)21/h5-7,10,32H,4,8H2,1-3H3,(H,27,33)/t10-/m0/s1 InChi Key XEDJGCIOZDHXOR-JTQLQIEISA-N Canonical SMILES CCn1c(=O)n(nc1CO)c1nc(O[C@@H](C)C(F)(F)F)c(cc1F)C(=O)Nc1c(C)ccnc1Cl Isomeric SMILES CCN1C(=NN(C1=O)C2=C(C=C(C(=N2)O[C@@H](C)C(F)(F)F)C(=O)NC3=C(C=CN=C3Cl)C)F)CO PubChem CID 154642303
References 1. Cisar JS, Pietsch C, DeRatt LG, Jacoby E, Kazmi F, Keohane C, Legenski K, Matico R, Shaffer P, Simonnet Y et al. . (2022) N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.. J Med Chem, 71 (13): (1755-70). [PMID:35925768 ] [10.1021/acs.jmedchem.2c00788 ]
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