WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 565045
CAS#: 1001468-07-0
Description: BDM31343 is an EthR inhibitor, boosting antituberculous activity of ethionamide.
MedKoo Cat#: 565045
Name: BDM31343
CAS#: 1001468-07-0
Chemical Formula: C14H14N4O2S
Exact Mass: 302.0837
Molecular Weight: 302.35
Elemental Analysis: C, 55.62; H, 4.67; N, 18.53; O, 10.58; S, 10.60
Synonym: BDM-31343; BDM 31343; BDM31343
IUPAC/Chemical Name: 3-Oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile
InChi Key: SSTGJZVDCOEUFG-UHFFFAOYSA-N
InChi Code: InChI=1S/C14H14N4O2S/c15-6-3-12(19)18-7-4-10(5-8-18)14-16-13(17-20-14)11-2-1-9-21-11/h1-2,9-10H,3-5,7-8H2
SMILES Code: N#CCC(N1CCC(C2=NC(C3=CC=CS3)=NO2)CC1)=O
1: Tatum NJ, Villemagne B, Willand N, Deprez B, Liebeschuetz JW, Baulard AR, Pohl E. Structural and docking studies of potent ethionamide boosters. Acta Crystallogr C. 2013 Nov;69(Pt 11):1243-50. doi: 10.1107/S0108270113028126. Epub 2013 Oct 24. PubMed PMID: 24192167.
2: Engohang-Ndong J. Antimycobacterial drugs currently in Phase II clinical trials and preclinical phase for tuberculosis treatment. Expert Opin Investig Drugs. 2012 Dec;21(12):1789-800. doi: 10.1517/13543784.2012.724397. Epub 2012 Sep 19. Review. PubMed PMID: 22991970.
3: Villemagne B, Crauste C, Flipo M, Baulard AR, Déprez B, Willand N. Tuberculosis: the drug development pipeline at a glance. Eur J Med Chem. 2012 May;51:1-16. doi: 10.1016/j.ejmech.2012.02.033. Epub 2012 Feb 25. Review. PubMed PMID: 22421275.
4: Bonnel D, Legouffe R, Willand N, Baulard A, Hamm G, Deprez B, Stauber J. MALDI imaging techniques dedicated to drug-distribution studies. Bioanalysis. 2011 Jun;3(12):1399-406. doi: 10.4155/bio.11.88. PubMed PMID: 21679033.
5: Flipo M, Desroses M, Lecat-Guillet N, Dirié B, Carette X, Leroux F, Piveteau C, Demirkaya F, Lens Z, Rucktooa P, Villeret V, Christophe T, Jeon HK, Locht C, Brodin P, Déprez B, Baulard AR, Willand N. Ethionamide boosters: synthesis, biological activity, and structure-activity relationships of a series of 1,2,4-oxadiazole EthR inhibitors. J Med Chem. 2011 Apr 28;54(8):2994-3010. doi: 10.1021/jm200076a. Epub 2011 Apr 1. PubMed PMID: 21417236.
6: Willand N, Dirié B, Carette X, Bifani P, Singhal A, Desroses M, Leroux F, Willery E, Mathys V, Déprez-Poulain R, Delcroix G, Frénois F, Aumercier M, Locht C, Villeret V, Déprez B, Baulard AR. Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Nat Med. 2009 May;15(5):537-44. doi: 10.1038/nm.1950. Epub 2009 May 3. PubMed PMID: 19412174.