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MedKoo Cat#: 565170 | Name: BDM41906

Description:

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

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

Chemical Structure

BDM41906
BDM41906
CAS#NONE

Theoretical Analysis

MedKoo Cat#: 565170

Name: BDM41906

CAS#: NONE

Chemical Formula: C15H17F3N4O2S

Exact Mass: 374.1024

Molecular Weight: 374.38

Elemental Analysis: C, 48.12; H, 4.58; F, 15.22; N, 14.97; O, 8.55; S, 8.56

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-41906; BDM 41906; BDM41906
IUPAC/Chemical Name
5,5,5-Trifluoro-1-[4-(3-thiazol-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-pentan-1-one
InChi Key
WIFDOUQOJULUSV-UHFFFAOYSA-N
InChi Code
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
SMILES Code
O=C(N1CCC(C2=NC(C3=NC=CS3)=NO2)CC1)CCCC(F)(F)F
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 374.38 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: 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.