BTZ-N3

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

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.

Chemical Structure

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BTZ-N3
CAS# 1839081-05-8
Instruction

Theoretical Analysis

MedKoo Cat#: 522564
Name: BTZ-N3
CAS#: 1839081-05-8
Chemical Formula: C17H16F3N5O3S
Exact Mass: 427.09
Molecular Weight: 427.402
Elemental Analysis: C, 47.77; H, 3.77; F, 13.34; N, 16.39; O, 11.23; S, 7.50

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 427.40 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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