Bedaquiline

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Names

[ CAS No. ]:
843663-66-1

[ Name ]:
Bedaquiline

[Synonym ]:
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

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

[ Storage condition ]:
-20℃

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (3S,4R)-4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl-4-methylbenzenesulfonate
  • Dimethylamine
  • (2R)-2-(6-bromo-2-methoxyquinolin-3-yl)-1-(naphthalen-1-yl)-2-phenylethanone
  • (4R)-4-(6-bromo-2-methoxyquinolin-3-yl)-3-(naphthalen-1-yl)-4-phenylbutane-1,3-diol
  • ethyl (E)-3-(6-bromo-2-chloroquinolin-3-yl)acrylate

DownStream

Related Compounds

  • bedaquiline
  • Bedaquiline fumarate
  • Bedaquiline IMpurity
  • Bedaquiline Impurity 5
  • N-desmethyl bedaquiline
  • N-Desmethyl Bedaquiline-d6
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine