BTZ043 | CAS#1161233-85-7 | DprE1 inhibitor

MedKoo Cat#: 200584 | Name: BTZ043

Description:

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

BTZ043 is a decaprenylphosphoryl-β-D-ribose 2'-epimerase (DprE1) inhibitor acting as a new antimycobacterial agent that kill Mycobacterium tuberculosis.

Chemical Structure

BTZ043

CAS#1161233-85-7 (S-isomer)

Theoretical Analysis

MedKoo Cat#: 200584

Name: BTZ043

CAS#: 1161233-85-7 (S-isomer)

Chemical Formula: C17H16F3N3O5S

Exact Mass: 431.0763

Molecular Weight: 431.39

Elemental Analysis: C, 47.33; H, 3.74; F, 13.21; N, 9.74; O, 18.54; S, 7.43

Price and Availability

Size	Price	Availability
50mg	USD 450.00	2 Weeks
100mg	USD 750.00	2 Weeks
200mg	USD 1,350.00	2 Weeks
500mg	USD 2,650.00	2 Weeks
1g	USD 3,850.00	2 Weeks
2g	USD 6,450.00	2 Weeks

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Related CAS #

957217-65-1 (racemic) 1161233-85-7 (S-isomer)

Synonym

BTZ043; BTZ 043; BTZ-043.

IUPAC/Chemical Name

(S)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one

InChi Key

GTUIRORNXIOHQR-VIFPVBQESA-N

InChi Code

InChI=1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1

SMILES Code

O=C1N=C(N(CC2)CCC32OC[C@H](C)O3)SC4=C([N+]([O-])=O)C=C(C(F)(F)F)C=C14

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, not in water

Shelf Life

>5 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

The new antitubercular drug candidate 2-[2-S-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one (BTZ043) targets the DprE1 (Rv3790) subunit of the enzyme decaprenylphosphoryl-beta-d-ribose 2'-epimerase. To monitor the potential development of benzothiazinone (BTZ) resistance, a total of 240 sensitive and multidrug-resistant Mycobacterium tuberculosis clinical isolates from four European hospitals were surveyed for the presence of mutations in the dprE1 gene and for BTZ susceptibility. All 240 strains were susceptible, thus establishing the baseline prior to the introduction of BTZ043 in clinical trials. BTZ043 Â– proved particularly effective against the tubercle bacillus. The latterÂ’s cell walls, with their particular wax-rich structure, confer high resistance to antiseptics, some antibiotics and macrophages. The new compound inhibits the enzyme which produces the molecule linking the various layers of the bacterial cell wall. Â“Without this enzyme, the bacterium explodesÂ”, the Professor notes. Identifying this target was in itself the major discovery in this research as it paves the way for further therapeutic prospects. The research also relied on many advanced technologies developed by the EPFL. BTZ043 is now exiting preclinical research, soon to be the subject of clinical testing in humans. A new therapy could emerge in under 10 years. Current developer: the EPFL School of Life Sciences,

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 431.39 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.

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: Pasca MR, Degiacomi G, Ribeiro AL, Zara F, De Mori P, Heym B, Mirrione M, Brerra R, Pagani L, Pucillo L, Troupioti P, Makarov V, Cole ST, Riccardi G. Clinical isolates of Mycobacterium tuberculosis in four European hospitals are uniformly susceptible to benzothiazinones. Antimicrob Agents Chemother. 2010 Apr;54(4):1616-8. Epub 2010 Jan 19. PubMed PMID: 20086151; PubMed Central PMCID: PMC2849388. 2: Makarov V, Manina G, Mikusova K, MÃ¶llmann U, Ryabova O, Saint-Joanis B, Dhar N, Pasca MR, Buroni S, Lucarelli AP, Milano A, De Rossi E, Belanova M, Bobovska A, Dianiskova P, Kordulakova J, Sala C, Fullam E, Schneider P, McKinney JD, Brodin P, Christophe T, Waddell S, Butcher P, Albrethsen J, Rosenkrands I, Brosch R, Nandi V, Bharath S, Gaonkar S, Shandil RK, Balasubramanian V, Balganesh T, Tyagi S, Grosset J, Riccardi G, Cole ST. Benzothiazinones kill Mycobacterium tuberculosis by blocking arabinan synthesis. Science. 2009 May 8;324(5928):801-4. Epub 2009 Mar 19. PubMed PMID: 19299584.