(AlphaR,BetaS)-Bedaquiline

CAS : 857086-93-2

Ref. TR-B119535

Informations sur le produit

• Nom: (AlphaR,BetaS)-Bedaquiline

Description

Applications (αR,βS)-Bedaquiline is an intermediate in the synthesis of (αS,βR)-Bedaquiline (B119540), which is a diarylquinoline derivative that acts as a mycobacterial inhibitor. Bedaquiline shows promise as potential drug in the treatment of tuberculosis.
References Cheepsattayakorn, A., et al.: Anti-Infect. Drug. Discover.,7, 141 (2012); de Jonge M.R. et al.: Proteins, 67, 971 (2007); Diacon A.H. et al.: N. Eng. J. Med., 360, 2397 (2009);

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 555.5
• Formule: C₃₂H₃₁BrN₂O₂
• Couleur/Forme: Neat
• InChI: InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m0/s1
• Code InChI: InChIKey=QUIJNHUBAXPXFS-CDZUIXILSA-N
• SMILES: COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@](O)(CCN(C)C)c1cccc2ccccc12