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MedKoo Cat#: 464270 | Name: Ethionamide-d3
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Description:

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

Ethionamide-d3 is intended for use as an internal standard for the quantification of ethionamide by GC- or LC-MS. Ethionamide is an antimycobacterial compound that is active against M. tuberculosis (MICs = 0.3-1.25 µg/ml). It is activated via oxidation by flavin monooxygenase and inhibits the InhA enzyme involved in mycolic acid biosynthesis. Formulations containing ethionamide have been used in the second-line treatment of multi-drug resistant tuberculosis.

Chemical Structure

Ethionamide-d3
Ethionamide-d3
CAS#2748267-66-3

Theoretical Analysis

MedKoo Cat#: 464270

Name: Ethionamide-d3

CAS#: 2748267-66-3

Chemical Formula: C8H7D3N2S

Exact Mass: 169.0753

Molecular Weight: 169.26

Elemental Analysis: C, 56.77; H, 7.74; N, 16.55; S, 18.94

Price and Availability

Size Price Availability Quantity
1mg USD 500.00 Back order
5mg USD 1,450.00 Back order
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Related CAS #
No Data
Synonym
Ethionamide-d3; Ethionamide d3;
IUPAC/Chemical Name
2-(ethyl-2,2,2-d3)pyridine-4-carbothioamide
InChi Key
AEOCXXJPGCBFJA-FIBGUPNXSA-N
InChi Code
InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)/i1D3
SMILES Code
NC(C1=CC=NC(CC([2H])([2H])[2H])=C1)=S
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 169.26 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: Coban AY. Validation of a novel medium for drug susceptibility testing of Mycobacterium Tuberculosis against First- and Second-Line drugs: AYC.2.2 Agar and AYC.2.1 Broth. Int J Mycobacteriol. 2021 Jan-Mar;10(1):19-25. doi: 10.4103/ijmy.ijmy_194_20. PMID: 33707367. 2: Mugabo P, Mulubwa M. Ethionamide population pharmacokinetics/pharmacodynamics and therapeutic implications in South African adult patients with drug-resistant tuberculosis. Br J Clin Pharmacol. 2021 Feb 23. doi: 10.1111/bcp.14795. Epub ahead of print. PMID: 33620754. 3: du Cros P, Khamraev A, Tigay Z, Abdrasuliev T, Greig J, Cooke G, Herboczek K, Pylypenko T, Berry C, Ronnachit A, Lister D, Dietrich S, Ariti C, Safaev K, Nyang'wa BT, Parpieva N, Tillashaikhov M, Achar J. Outcomes with a shorter multidrug-resistant tuberculosis regimen from Karakalpakstan, Uzbekistan. ERJ Open Res. 2021 Feb 8;7(1):00537-2020. doi: 10.1183/23120541.00537-2020. PMID: 33585652; PMCID: PMC7869592. 4: Rohde KH, Sorci L. The Prospective Synergy of Antitubercular Drugs With NAD Biosynthesis Inhibitors. Front Microbiol. 2021 Jan 26;11:634640. doi: 10.3389/fmicb.2020.634640. PMID: 33584600; PMCID: PMC7873932. 5: Song Y, Wang G, Li Q, Liu R, Ma L, Li Q, Gao M. The Value of the inhA Mutation Detection in Predicting Ethionamide Resistance Using Melting Curve Technology. Infect Drug Resist. 2021 Jan 29;14:329-334. doi: 10.2147/IDR.S268799. PMID: 33551644; PMCID: PMC7856099. 6: Ho VQT, Verboom T, Rong MK, Habjan E, Bitter W, Speer A. Heterologous expression of ethA and katG in Mycobacterium marinum enables the rapid identification of new prodrugs active against Mycobacterium tuberculosis. Antimicrob Agents Chemother. 2021 Jan 25:AAC.01445-20. doi: 10.1128/AAC.01445-20. Epub ahead of print. PMID: 33495223. 7: Borham M, Oreiby A, El-Gedawy A, Hegazy Y, Hemedan A, Al-Gaabary M. Abattoir survey of bovine tuberculosis in tanta, centre of the Nile delta, with in silico analysis of gene mutations and protein-protein interactions of the involved mycobacteria. Transbound Emerg Dis. 2021 Jan 23. doi: 10.1111/tbed.14001. Epub ahead of print. PMID: 33484233. 8: Metcalfe J, Bacchetti P, Esmail A, Reckers A, Aguilar D, Wen A, Huo S, Muyindike WR, Hahn JA, Dheda K, Gandhi M, Gerona R. Diagnostic accuracy of a liquid chromatography-tandem mass spectrometry assay in small hair samples for rifampin-resistant tuberculosis drug concentrations in a routine care setting. BMC Infect Dis. 2021 Jan 22;21(1):99. doi: 10.1186/s12879-020-05738-5. PMID: 33482745; PMCID: PMC7821664. 9: Nonghanphithak D, Kaewprasert O, Chaiyachat P, Reechaipichitkul W, Chaiprasert A, Faksri K. Whole-genome sequence analysis and comparisons between drug-resistance mutations and minimum inhibitory concentrations of Mycobacterium tuberculosis isolates causing M/XDR-TB. PLoS One. 2020 Dec 31;15(12):e0244829. doi: 10.1371/journal.pone.0244829. PMID: 33382836; PMCID: PMC7775048. 10: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012–. Ethionamide. 2020 Dec 26. PMID: 31643357. 11: Pandey AK, Kumar R, Shafiq N, Kondel R, Garg S, Negi H, Arora SK, Varma N, Malhotra S. In vitro and in vivo evaluation of clastogenicity of second-line antitubercular drug loaded PLGA nanoparticles. Hum Exp Toxicol. 2020 Dec 20:960327120979345. doi: 10.1177/0960327120979345. Epub ahead of print. PMID: 33345607. 12: Cao Y, Parmar H, Gaur RL, Lieu D, Raghunath S, Via N, Battaglia S, Cirillo DM, Denkinger C, Georghiou S, Kwiatkowski R, Persing D, Alland D, Chakravorty S. Xpert MTB/XDR: A ten-color reflex assay suitable for point of care settings to detect isoniazid-, fluoroquinolone-, and second-line injectable drug-resistance directly from Mycobacterium tuberculosis positive sputum. J Clin Microbiol. 2020 Dec 9:JCM.02314-20. doi: 10.1128/JCM.02314-20. Epub ahead of print. PMID: 33298611. 13: Daniyarov A, Molkenov A, Rakhimova S, Akhmetova A, Nurkina Z, Yerezhepov D, Chingissova L, Bismilda V, Toxanbaeva B, Akilzhanova A, Kozhamkulov U, Kairov U. Whole genome sequence data of Mycobacterium tuberculosis XDR strain, isolated from patient in Kazakhstan. Data Brief. 2020 Oct 17;33:106416. doi: 10.1016/j.dib.2020.106416. PMID: 33102665; PMCID: PMC7578676. 14: Mokrousov I, Vyazovaya A, Akhmedova G, Solovieva N, Turkin E, Zhuravlev V. Genetic Variation Putatively Associated with Mycobacterium tuberculosis Resistance to Perchlozone, a New Thiosemicarbazone: Clues from Whole Genome Sequencing and Implications for Treatment of Multidrug-Resistant Tuberculosis. Antibiotics (Basel). 2020 Oct 3;9(10):669. doi: 10.3390/antibiotics9100669. PMID: 33022959; PMCID: PMC7601826. 15: Liu P, Pei N, Liu X, Huang W, Lu S. Thalidomide in the treatment of human immunodeficiency virus-negative tuberculous meningitis: A case report. Medicine (Baltimore). 2020 Oct 2;99(40):e22639. doi: 10.1097/MD.0000000000022639. PMID: 33019487; PMCID: PMC7535634. 16: Lee NH, Myeong SH, Son HJ, Hwang JW, Lee NK, Chang JW, Na DL. Ethionamide Preconditioning Enhances the Proliferation and Migration of Human Wharton's Jelly-Derived Mesenchymal Stem Cells. Int J Mol Sci. 2020 Sep 23;21(19):7013. doi: 10.3390/ijms21197013. PMID: 32977637; PMCID: PMC7583833. 17: Drugs and Lactation Database (LactMed) [Internet]. Bethesda (MD): National Library of Medicine (US); 2006–. Ethionamide. 2020 Sep 21. PMID: 30000657. 18: Jouet A, Gaudin C, Badalato N, Allix-Béguec C, Duthoy S, Ferré A, Diels M, Laurent Y, Contreras S, Feuerriegel S, Niemann S, André E, Kaswa MK, Tagliani E, Cabibbe A, Mathys V, Cirillo D, de Jong BC, Rigouts L, Supply P. Deep amplicon sequencing for culture-free prediction of susceptibility or resistance to 13 anti-tuberculous drugs. Eur Respir J. 2020 Sep 17:2002338. doi: 10.1183/13993003.02338-2020. Epub ahead of print. PMID: 32943401. 19: Bordignon S, Cerreia Vioglio P, Amadio E, Rossi F, Priola E, Voinovich D, Gobetto R, Chierotti MR. Molecular Crystal Forms of Antitubercular Ethionamide with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study. Pharmaceutics. 2020 Aug 28;12(9):818. doi: 10.3390/pharmaceutics12090818. PMID: 32872201; PMCID: PMC7559828. 20: Lempens P, Decroo T, Aung KJM, Hossain MA, Rigouts L, Meehan CJ, Van Deun A, de Jong BC. Initial resistance to companion drugs should not be considered an exclusion criterion for the shorter multidrug-resistant tuberculosis treatment regimen. Int J Infect Dis. 2020 Nov;100:357-365. doi: 10.1016/j.ijid.2020.08.042. Epub 2020 Aug 20. PMID: 32829049; PMCID: PMC7670168.