(AlphaS,BetaS)-rel-Bedaquiline-d6

CAS : 1972612-60-4

Ref. TR-B119558

Informations sur le produit

• Nom: (AlphaS,BetaS)-rel-Bedaquiline-d6
• Synonymes: (alphaS,betaS)-6-Bromo-alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol-D6

Description

Applications (αS,βS)-rel-Bedaquiline-D6 is an enantiomer separated in the synthesis of Bedaquiline-d6 (Mixture of Diastereomers) (B119552) which is the labelled analog of Bedaquiline, a diarylquinoline derivative that acts as a mycobacterial inhibitor. Bedaquiline shows promise as potential drug in the treatment of tuberculosis.
References 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: 561.54
• Formule: C₃₂H₂₅D₆BrN₂O₂
• 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/i1D3,2D3
• Code InChI: InChIKey=QUIJNHUBAXPXFS-WJOYGKKRSA-N
• SMILES: [2H]C([2H])([2H])N(CC[C@@](O)(c1cccc2ccccc12)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC)C([2H])([2H])[2H]