BDM41906

• CAT Number: I023074
• Molecular Formula: C15H17F3N4O2S
• Molecular Weight: 374.38
• Purity: 98%
• Synonyms: BDM-41906; BDM 41906; BDM41906
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: 5,5,5-Trifluoro-1-[4-(3-thiazol-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-pentan-1-one
• InChI: InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2
• InChIKey: WIFDOUQOJULUSV-UHFFFAOYSA-N
• SMILES: O=C(N1CCC(C2=NC(C3=NC=CS3)=NO2)CC1)CCCC(F)(F)F

BDM41906 is a specific bona fide EthR-inhibitor which boosts ETH four times in an intravenously infected TB mice model.

Reference

1: Prieri M, Frita R, Probst N, Sournia-Saquet A, Bourotte M, Déprez B, Baulard AR, Willand N. Efficient analoging around ethionamide to explore thioamides bioactivation pathways triggered by boosters in Mycobacterium tuberculosis. Eur J Med Chem. 2018 Nov 5;159:35-46. doi: 10.1016/j.ejmech.2018.09.038. Epub 2018 Sep 20. PubMed PMID: 30268015.
2: Costa-Gouveia J, Pancani E, Jouny S, Machelart A, Delorme V, Salzano G, Iantomasi R, Piveteau C, Queval CJ, Song OR, Flipo M, Deprez B, Saint-André JP, Hureaux J, Majlessi L, Willand N, Baulard A, Brodin P, Gref R. Combination therapy for tuberculosis treatment: pulmonary administration of ethionamide and booster co-loaded nanoparticles. Sci Rep. 2017 Jul 14;7(1):5390. doi: 10.1038/s41598-017-05453-3. Erratum in: Sci Rep. 2018 May 10;8(1):7596. PubMed PMID: 28710351; PubMed Central PMCID: PMC5511234.
3: Flipo M, Desroses M, Lecat-Guillet N, Villemagne B, Blondiaux N, Leroux F, Piveteau C, Mathys V, Flament MP, Siepmann J, Villeret V, Wohlkönig A, Wintjens R, Soror SH, Christophe T, Jeon HK, Locht C, Brodin P, Déprez B, Baulard AR, Willand N. Ethionamide boosters. 2. Combining bioisosteric replacement and structure-based drug design to solve pharmacokinetic issues in a series of potent 1,2,4-oxadiazole EthR inhibitors. J Med Chem. 2012 Jan 12;55(1):68-83. doi: 10.1021/jm200825u. Epub 2011 Dec 6. PubMed PMID: 22098589.