TBAJ-587

InvivoChem Cat #:V5057CAS #:2252316-16-6Purity >=98%

Description: TBAJ-587, a diarylquinoline analog, is a novel and potent anti-tuberculosis agent which inhibits M.tb strain H37Rv growth with MIC90s of 0.006 and< 0.02 ug/mL in MABA and LORA assay, respectively. It demonstrated more potent in vitro and in vivo anti-tubercular activity, with greatly attenuated hERG blockade. It is as potent as bedaquiline against Mycobacterium tuberculosis, but with lower lipophilicity, higher clearance, and lower risk for QT prolongation. TBAJ-587 inhibits hERG channel minimally, attenuates inhibition of the cardiac potassium channel protein coded by the hERG, which is important for cardiac repolarization.

References: Bioorg Med Chem. 2019 Apr 1; 27(7):1292-1307.

-20C for 3 years in powder form

Synonym: TBAJ-587; TBAJ 587; TBAJ587
Chemical 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 Key: JJEGOJPMKLRSPJ-POURPWNDSA-N
InChi Code: 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
SMILES Code: COC1=C(F)C([CH](C2=CC3=CC(Br)=CC=C3N=C2OC)[C](O)(C4=CC(OC)=NC(OC)=C4)CCN(C)C)=CC=C1