Bedaquiline

cas: 843663-66-1 — see every product listed under this CAS number, including other names

Bedaquiline (CAS 843663-66-1) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 100mg, 5mg, 10mM (in 1ml dmso), 50mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC12278-10
cas843663-66-1
size10mg
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
GLPBio 10mg 671.93 Pln
GLPBio 100mg 1219.55 Pln
GLPBio 5mg 597.04 Pln
GLPBio 10mM (in 1ml dmso) 634.48 Pln
GLPBio 50mg 957.44 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Bedaquiline is a quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria. It has a role as an ATP synthase inhibitor and an antitubercular agent. It is a member of naphthalenes, a member of quinolines, a tertiary alcohol, an aromatic ether, an organobromine compound and a tertiary amino compound. It is a conjugate base of a bedaquiline(2+).

Source: ChEBI

Identity
Molecular formulaC32H31BrN2O2
Molecular weight555.5 g/mol
IUPAC name(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
InChIKeyQUIJNHUBAXPXFS-XLJNKUFUSA-N
SMILESCN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O

Computed by PubChem (NCBI)

Synonyms: Bedaquiline, bedaquilina, bedaquilinum, (alphaR,betaS)-rel-Bedaquiline, Bedaquiline [USAN:INN], C32H31BrN2O2, (aS,bR)-Bedaquiline, BDQ, Bedaquiline [USAN], Bedaquiline Fumarate Impurity 40
Related forms of this compound
(1S,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol C32H31BrN2O2
(1R,2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol C32H31BrN2O2
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol C32H31BrN2O2
(1S,2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol C32H31BrN2O2
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol C32H31BrN2O2
(1R,2S)-4-[bis(trideuteriomethyl)amino]-1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol C32H31BrN2O2
Isomers (same molecular formula)
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-2-yl-1-phenylbutan-2-ol C32H31BrN2O2

Also listed as

(1R,2S)-1-(6-Bromo-2-methoxyquinolin-3-yl) -4-(dimethylamino)-2-(naphthalen-1-yl) -1-phenylbutan-2-ol Biosynth CAS 843663-66-1
(AlphaS,BetaR)-Bedaquiline, >95% (HPLC) TRC CAS 843663-66-1
Bedaquiline/ 99.72% (existing batch purity) TargetMol CAS 843663-66-1
Bedaquiline 99% Ambeed CAS 843663-66-1
Bedaquiline, 99.98% MedChemExpress CAS 843663-66-1
Bedaquiline (Standard), 99.96% MedChemExpress CAS 843663-66-1