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MedKoo Cat#: 565045 | Name: BDM31343

Description:

WARNING: This product is for research use only, not for human or veterinary use.

BDM31343 is an EthR inhibitor, boosting antituberculous activity of ethionamide.

Chemical Structure

BDM31343
BDM31343
CAS#1001468-07-0

Theoretical Analysis

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

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 302.35 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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.