BTZ-N3

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MedKoo CAT#: 522564

CAS#: 1839081-05-8

Description: BTZ-N3 is a potent and selective anti-TB drug candidate. BTZ-N3 is a related click chemistry products based on the molecular mode of activation of BTZ043. BTZ-N3 binds in the essentially same pocket as that of BTZ043. Detailed biochemical studies with cell envelope enzyme fractions of Mycobacterium smegmatis combined with the model biochemical reactivity studies with nucleophiles indicated that, in contrast to BTZ043, the azide analogue may have a different mode of activation for anti-TB activity. Subsequent enzymatic studies with recombinant DprE1 from Mtb followed by MIC determination in NTB1 strain of Mtb (harboring Cys387Ser mutation in DprE1 and is BTZ043 resistant) unequivocally indicated that BTZ-N3 is an effective reversible and noncovalent inhibitor of DprE1.


Price and Availability

Size Price Shipping out time Quantity
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Pricing updated 2020-03-30. Prices are subject to change without notice.

BTZ-N3, 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#: 522564
Name: BTZ-N3
CAS#: 1839081-05-8
Chemical Formula: C17H16F3N5O3S
Exact Mass: 427.0926
Molecular Weight: 427.4022
Elemental Analysis: C, 47.77; H, 3.77; F, 13.34; N, 16.39; O, 11.23; S, 7.50


Synonym: BTZ-N3; BTZN3; BTZ N3.

IUPAC/Chemical Name: (S)-8-azido-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one

InChi Key: BXOYTROLGQRAES-VIFPVBQESA-N

InChi Code: InChI=1S/C17H16F3N5O3S/c1-9-8-27-16(28-9)2-4-25(5-3-16)15-22-14(26)11-6-10(17(18,19)20)7-12(23-24-21)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=[N+]=[N-])C=C(C(F)(F)F)C=C14


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, not in water

Shelf Life:
>2 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


References

Design, Syntheses, and Anti-TB Activity of 1,3-Benzothiazinone Azide and Click Chemistry Products Inspired by BTZ043 Rohit Tiwari, Patricia A. Miller, Laurent R. Chiarelli, Giorgia Mori, Michal Šarkan, Ivana Centárová, Sanghyun Cho, Katarína Mikušová, Scott G. Franzblau, Allen G. Oliver, and Marvin J. Miller Publication Date (Web): January 4, 2016 (Letter) DOI: 10.1021/acsmedchemlett.5b00424