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
  • rac-(1R,2S)-2-(aminomethyl)cyclopentane-1-carboxylic acid
  • (S)-4-Amino-N-(benzoyloxy)-5-oxo-5-(pyrrolidin-1-yl)pentanamide
  • tert-Butyl (S)-(5-((benzoyloxy)amino)-1,5-dioxo-1-(pyrrolidin-1-yl)pentan-2-yl)carbamate
  • (3R)-7,4'-Dihydroxy-2'-methoxyisoflavan
  • N-[2-(6-chloro-1H-indol-1-yl)ethyl]nicotinamide
  • N-[2-(6-chloro-1H-indol-1-yl)ethyl]-2-pyridinecarboxamide
  • N-[2-(6-chloro-1H-indol-1-yl)ethyl]-2-furamide
  • N-[2-(6-chloro-1H-indol-1-yl)ethyl]-2-(1H-indol-3-yl)acetamide
  • N-[2-(6-chloro-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
  • N-[2-(6-chloro-1H-indol-1-yl)ethyl]-3,4,5-trimethoxybenzamide