2332841-25-3
Chemical Structure
TBAJ-876
- CAS No.: 2332841-25-3
- Formula:C31H37BrN4O7
- Molecular Weight:657.55
IUPAC Name: (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol
InChIKey: HHDDKDPLFXIPBX-DLFZDVPBSA-N
SMILES: COC1=NC(OC)=C(OC)C([C@H](C2=CC(C=C(Br)C=C3)=C3N=C2OC)[C@@](C4=CC(OC)=NC(OC)=C4)(O)CCN(C)C)=C1
Biological Activity: TBAJ-876 is an orally active diarylquinoline antimycobacterial agent. TBAJ-876 targets the c and ε subunits of Mycobacterium tuberculosis F-ATP synthase to modulate energy metabolism, and it exerts bactericidal activity against replicating Mycobacterium tuberculosis and retains activity against strains carrying Rv0678 mutations. TBAJ-876 undergoes N-demethylation in vivo to form the major active metabolite TBAJ-876-M3, which has lower lipophilicity and lower binding affinity for the hERG potassium channel. TBAJ-876 is well tolerated in BALB/c mice and significantly reduces the number of colony-forming units of Mycobacterium tuberculosis in the lungs. TBAJ-876 can be used in research related to tuberculosis and Mycobacterium abscessus lung disease[1][2].
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TBAJ-876 | TBAJ-876 is an orally active diarylquinoline antimycobacterial agent. TBAJ-876 targets the c and ε subunits of Mycobacterium tuberculosis F-ATP synthase to modulate energy metabolism, and it exerts bactericidal activity against replicating Mycobacterium tuberculosis and retains activity against strains carrying Rv0678 mutations. TBAJ-876 undergoes N-demethylation in vivo to form the major active metabolite TBAJ-876-M3, which has lower lipophilicity and lower binding affinity for the hERG potassium channel. TBAJ-876 is well tolerated in BALB/c mice and significantly reduces the number of colony-forming units of Mycobacterium tuberculosis in the lungs. TBAJ-876 can be used in research related to tuberculosis and Mycobacterium abscessus lung disease. | |||||||||||||||||||||
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Similarity Score 1.00
HY-128866A(Rac)-TBAJ-876 -
Similarity Score 0.88
HY-161135TBAJ-5307 -
Similarity Score 0.88
HY-161135A(rac)-TBAJ-5307 -
Similarity Score 0.76
HY-111747TBAJ-587 -
Similarity Score 0.57
HY-I1100RBedaquinoline impurity 2 (Standard) -
Similarity Score 0.55
HY-14881Bedaquiline -
Similarity Score 0.55
HY-14881B(Rac)-Bedaquiline -
Similarity Score 0.55
HY-14881CR(1S,2R)-Bedaquiline (Standard) -
Similarity Score 0.55
HY-14881EBedaquinoline impurity 1 -
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References
- [1]. Mudde SE, et al. Relative Contributions of the Novel Diarylquinoline TBAJ-876 and its Active Metabolite to the Bactericidal Activity in a Murine Model of Tuberculosis. J Infect Dis. 2024;230(6):e1366-e1374. [Content Brief]
- [2]. Sarathy JP, et al. TBAJ-876, a 3,5-Dialkoxypyridine Analogue of Bedaquiline, Is Active against Mycobacterium abscessus. Antimicrob Agents Chemother. 2020;64(4):e02404-19. Published 2020 Mar 24. [Content Brief]
