Tuberculosis inhibitor 3

• CAT Number: I045587
• CAS Number: 2219325-28-5
• Molecular Formula: C21H22F6N4O3S
• Molecular Weight: 524.48
• Purity: ≥95%
• Synonyms: 8-nitro-6-(trifluoromethyl)-2-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-benzothiazin-4-one
• InChI: InChI=1S/C21H22F6N4O3S/c22-20(23,24)13-3-5-29(6-4-13)11-12-1-7-30(8-2-12)19-28-18(32)15-9-14(21(25,26)27)10-16(31(33)34)17(15)35-19/h9-10,12-13H,1-8,11H2
• InChIKey: UFMNTAVTSIJODG-UHFFFAOYSA-N
• SMILES: C1CN(CCC1CN2CCC(CC2)C(F)(F)F)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]

Tuberculosis inhibitor 3 (compound 2i) displays potent anti-TB activity (MIC < 0.016 μg/mL) against agent-sensitive/resistant MTB strains. Tuberculosis inhibitor 3 (compound 2i) shows acceptable PK profiles with oral bioavailability[1].
Tuberculosis inhibitor 3 (compound 2i, 50 mg/kg) shows acceptable PK properties with the AUC of 2489 h•ng/mL) is. The Tmax of Tuberculosis inhibitor 3 is 0.25 h[1].

Reference

[1]. Kai Lv, et al. Design, synthesis and antitubercular evaluation of benzothiazinones containing a piperidine moiety. Eur J Med Chem. 2018 May 10;151:1-8.
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