TBAJ-587

• CAT Number: I019403
• CAS Number: 2252316-16-6
• Molecular Formula: C₃₀H₃₃BrFN₃O₅
• Molecular Weight: 614.50
• Purity: ≥95%
• Target: Bacterial
• IUPAC Name: (1S,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
• InChI: InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1
• InChIKey: JJEGOJPMKLRSPJ-POURPWNDSA-N
• SMILES: CN(C)CC[C@@](C1=CC(=NC(=C1)OC)OC)([C@H](C2=C(C(=CC=C2)OC)F)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O

TBAJ-587（Cat No.:I019403）is a novel diarylquinoline compound under investigation for its potential to treat tuberculosis (TB), including multidrug-resistant (MDR) and extensively drug-resistant (XDR) strains. It functions by inhibiting the mycobacterial ATP synthase enzyme, crucial for energy production in Mycobacterium tuberculosis. Preclinical studies have demonstrated TBAJ-587’s potent bactericidal activity and favorable pharmacokinetic properties, suggesting it could be an effective component of shorter, more efficient TB treatment regimens. Its development represents a significant advancement in addressing the global challenge of drug-resistant TB.

Reference

[1]. Sutherland HS, et al. 3,5-Dialkoxypyridine analogues of bedaquiline are potent antituberculosis agents with minimal inhibition of the hERG channel. Bioorg Med Chem. 2019 Apr 1;27(7):1292-1307.