BDM31343

    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.


Price and Availability

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Price

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BDM31343 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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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


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


Technical Data

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).

Harmonized System Code:
2934990300


References

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.