CAS 843663-66-1|Bedaquiline
Introduction：Basic information about CAS 843663-66-1|Bedaquiline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bedaquiline | ||
|---|---|---|---|
| CAS Number | 843663-66-1 | Molecular Weight | 555.50 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 702.7±60.0 °C at 760 mmHg |
| Molecular Formula | C32H31BrN2O2 | Melting Point | / |
| MSDS | / | Flash Point | 378.8±32.9 °C |
Names
| Name | tmc-207 |
|---|---|
| Synonym | More Synonyms |
Bedaquiline BiologicalActivity
| Description | Bedaquiline is a diarylquinoline antibiotic that inhibits mycobacterial ATP synthase. |
|---|---|
| Related Catalog | Signaling Pathways >>Anti-infection >>BacterialResearch Areas >>Infection |
| Target | mycobacterial ATP synthase[1] |
| In Vitro | Bedaquiline inhibits the growth of TDR M. tuberculosis strains, with MIC values ranging from 0.125 to 0.5 mg/L[1]. Among slowly growing mycobacteria (SGM), bedaquiline exhibits the highest activity against Mycobacterium avium with MIC50 and MIC90 values of 0.03 and 16 mg/L, respectively. Among rapidly growing mycobacteria (RGM), Mycobacterium abscessus subsp. abscessus (M. abscessus) and Mycobacterium abscessus subsp. massiliense (M. massiliense) seem more susceptible to bedaquiline than Mycobacterium fortuitum, with MIC50 and MIC90 values of 0.13 and >16 mg/L, respectively, for both species. Bedaquiline also shows moderate in vitro activity against NTM species[2]. Bedaquiline has an excellent in vitro activity against Mycobacterium tuberculosis, including multidrug resistant M tuberculosis[3]. |
| References | [1]. Jang JC, et al. Bedaquiline susceptibility test for totally drug-resistant tuberculosis Mycobacterium tuberculosis. J Microbiol. 2017 Apr 20. [2]. Pang Y, et al. In Vitro Activity of Bedaquiline against Nontuberculous Mycobacteria in China. Antimicrob Agents Chemother. 2017 Apr 24;61(5). [3]. Chahine EB, et al. Bedaquiline: a novel diarylquinoline for multidrug-resistant tuberculosis. Ann Pharmacother. 2014 Jan;48(1):107-15. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 702.7±60.0 °C at 760 mmHg |
| Molecular Formula | C32H31BrN2O2 |
| Molecular Weight | 555.50 |
| Flash Point | 378.8±32.9 °C |
| PSA | 36.36000 |
| LogP | 7.59 |
| Vapour Pressure | 0.0±2.3 mmHg at 25°C |
| Index of Refraction | 1.666 |
| InChIKey | QUIJNHUBAXPXFS-XLJNKUFUSA-N |
| SMILES | COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12 |
| Storage condition | -20℃ |
Synonyms
| methyl 6-azanyl-2-benzamido-hexanoate hydrochloride |
| BZ-LYS-OME HCL |
| Sirturo |
| methyl (2S)-6-amino-2-benzamidohexanoate |
| Bedaquiline |
| 6-amino-2-benzamidohexanoic acid methyl ester hydrochloride |
| (1R,2S)-1-(6-Bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol |
| 3-Quinolineethanol, 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-, (αS,βR)- |
| (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol |
| TMC207 |
