CAS 1161233-85-7

2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

Description:

The chemical substance known as 2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one, with the CAS number 1161233-85-7, is a complex organic compound characterized by its unique structural features, including a benzothiazinone core, a nitro group, and a trifluoromethyl substituent. The presence of the spirocyclic structure contributes to its three-dimensional conformation, which may influence its biological activity and interactions. The compound contains both nitrogen and oxygen heteroatoms, which can enhance its solubility and reactivity in various chemical environments. Its potential applications may include use in pharmaceuticals, particularly in the development of antimicrobial or antitumor agents, owing to the presence of the benzothiazinone moiety, which is known for its biological significance. Additionally, the trifluoromethyl group is often associated with increased lipophilicity and metabolic stability, making such compounds of interest in medicinal chemistry. Overall, this substance exemplifies the intricate design often found in drug candidates, combining multiple functional groups for enhanced efficacy.

Formula: C₁₇H₁₆F₃N₃O₅S

InChI: 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

InChI key: InChIKey=GTUIRORNXIOHQR-VIFPVBQESA-N

SMILES: C[C@@H]1OC2(CCN(CC2)C=3SC=4C(C(=O)N3)=CC(C(F)(F)F)=CC4N(=O)=O)OC1

Synonyms:

• BTZ 043
• 4H-1,3-Benzothiazin-4-one, 2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-
• 2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
• 2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-trifluoromethyl-4H-1,3-benzothiazin-4-one
• BTZ 10526043
• BTZ043;BTZ-043;BTZ 043
• BTZ043 raceMate
• BTZ043
• PBTZ 169
• 2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
• BTZ043 (BTZ-043

4H-1,3-Benzothiazin-4-one, 2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-

CAS: 1161233-85-7

Formula: C₁₇H₁₆F₃N₃O₅S

Purity: 98%

Color and Shape: Solid

Molecular weight: 431.3862

Ref: IN-DA000BOK

BTZ043

CAS: 1161233-85-7

BTZ043

Purity: ≥98%

Molecular weight: 431.39g/mol

Ref: 54-BUP15578

BTZ043

CAS: 1161233-85-7

BTZ043 is a DprE1 inhibitor with nanomolar bactericidal activity against Mycobacterium tuberculosis in vitro.

Formula: C₁₇H₁₆F₃N₃O₅S

Purity: 99.97% - 99.97%

Color and Shape: Solid

Molecular weight: 431.39

Ref: TM-T3582

BTZ043

Controlled Product

CAS: 1161233-85-7

Applications BTZ043 is an inhibitor of the essential flavo-enzyme Decaprenylphosphoryl-beta-D-ribose 2-epimerase (DprE1).
References Trefzer, Claudia., et al.: J. Am. Chem. Soc.,134, 912 (2011);

Formula: C₁₇H₁₆F₃N₃O₅S

Color and Shape: Neat

Molecular weight: 431.39

Ref: TR-B695515