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845533-86-0,MFCD28167761
Catalog No.:AA00G3KV

845533-86-0 | Bedaquiline fumarate

Pack Size
Purity
Availability
Price(USD)
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1mg
98%
in stock  
$7.00   $5.00
- +
5mg
98%
in stock  
$12.00   $8.00
- +
10mg
98%
in stock  
$19.00   $14.00
- +
25mg
98%
in stock  
$36.00   $25.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00G3KV
Chemical Name:
Bedaquiline fumarate
CAS Number:
845533-86-0
Molecular Formula:
C36H35BrN2O6
Molecular Weight:
671.5769
MDL Number:
MFCD28167761
SMILES:
OC(=O)/C=C/C(=O)O.COc1nc2ccc(cc2cc1[C@H]([C@](c1cccc2c1cccc2)(CCN(C)C)O)c1ccccc1)Br
Properties
Computed Properties
 
Complexity:
834  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
10  

Downstream Synthesis Route

[1]Patent:WO2008/68231,2008,A1.Locationinpatent:Page/Pagecolumn16

[2]Patent:US2018/265473,2018,A1.Locationinpatent:Paragraph0085;0086

[1]CurrentPatentAssignee:VIATRISINC-WO2020/161743,2020,A1

[1]CurrentPatentAssignee:VIATRISINC-WO2020/161743,2020,A1

[1]CurrentPatentAssignee:VIATRISINC-WO2020/161743,2020,A1

[1]CurrentPatentAssignee:VIATRISINC-WO2020/161743,2020,A1

Literature

Title: Efflux inhibition with verapamil potentiates bedaquiline in Mycobacterium tuberculosis.

Journal: Antimicrobial agents and chemotherapy 20140101

Title: 14-day bactericidal activity of PA-824, bedaquiline, pyrazinamide, and moxifloxacin combinations: a randomised trial.

Journal: Lancet (London, England) 20120915

Title: Safety, tolerability, and pharmacokinetic interactions of the antituberculous agent TMC207 (bedaquiline) with efavirenz in healthy volunteers: AIDS Clinical Trials Group Study A5267.

Journal: Journal of acquired immune deficiency syndromes (1999) 20120415

Title: Rapid evaluation in whole blood culture of regimens for XDR-TB containing PNU-100480 (sutezolid), TMC207, PA-824, SQ109, and pyrazinamide.

Journal: PloS one 20120101

Title: Short-course chemotherapy with TMC207 and rifapentine in a murine model of latent tuberculosis infection.

Journal: American journal of respiratory and critical care medicine 20110915

Title: The TB Alliance: overcoming challenges to chart the future course of TB drug development.

Journal: Future medicinal chemistry 20110801

Title: Sterilizing activity of second-line regimens containing TMC207 in a murine model of tuberculosis.

Journal: PloS one 20110101

Title: Probing the interaction of the diarylquinoline TMC207 with its target mycobacterial ATP synthase.

Journal: PloS one 20110101

Title: [Present and future in the use of anti-tubercular drugs].

Journal: Pneumologia (Bucharest, Romania) 20110101

Title: Drugs in development for tuberculosis.

Journal: Drugs 20101203

Title: Time to detection of the growth of Mycobacterium tuberculosis in MGIT 960 for determining the early bactericidal activity of antituberculosis agents.

Journal: European journal of clinical microbiology & infectious diseases : official publication of the European Society of Clinical Microbiology 20101201

Title: Bactericidal activity of the diarylquinoline TMC207 against Mycobacterium tuberculosis outside and within cells.

Journal: Tuberculosis (Edinburgh, Scotland) 20100901

Title: [R207910 (TMC207): a new antibiotic for the treatment of tuberculosis].

Journal: Medecine et maladies infectieuses 20100701

Title: In vitro interactions between new antitubercular drug candidates SQ109 and TMC207.

Journal: Antimicrobial agents and chemotherapy 20100701

Title: Current development and future prospects in chemotherapy of tuberculosis.

Journal: Respirology (Carlton, Vic.) 20100701

Title: TMC207: the first compound of a new class of potent anti-tuberculosis drugs.

Journal: Future microbiology 20100601

Title: Update in tuberculosis 2009.

Journal: American journal of respiratory and critical care medicine 20100315

Title: Sterilizing activity of R207910 (TMC207)-containing regimens in the murine model of tuberculosis.

Journal: American journal of respiratory and critical care medicine 20090915

Title: Design, synthesis, biological evaluation and molecular modelling studies of novel quinoline derivatives against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry 20090401

Title: A once-weekly R207910-containing regimen exceeds activity of the standard daily regimen in murine tuberculosis.

Journal: American journal of respiratory and critical care medicine 20090101

Title: Once-weekly treatment of tuberculosis with the diarylquinoline R207910: a real possibility.

Journal: American journal of respiratory and critical care medicine 20090101

Title: [Some new antitubercular agents].

Journal: Revue medicale suisse 20080319

Title: New anti-tuberculosis drugs with novel mechanisms of action.

Journal: Current medicinal chemistry 20080101

Title: In vitro antimycobacterial spectrum of a diarylquinoline ATP synthase inhibitor.

Journal: Antimicrobial agents and chemotherapy 20071101

Title: New tuberculosis therapeutics: a growing pipeline.

Journal: The Journal of infectious diseases 20070815

Title: A computational model of the inhibition of Mycobacterium tuberculosis ATPase by a new drug candidate R207910.

Journal: Proteins 20070601

Title: A diarylquinoline drug active on the ATP synthase of Mycobacterium tuberculosis.

Journal: Science (New York, N.Y.) 20050114

Title: Microbiology. TB--a new target, a new drug.

Journal: Science (New York, N.Y.) 20050114

Title: Medicine. New TB drug promises shorter, simpler treatment.

Journal: Science (New York, N.Y.) 20041210

Title: Jang JC, et al. Bedaquiline susceptibility test for totally drug-resistant tuberculosis Mycobacterium tuberculosis. J Microbiol. 2017 Apr 20.

Title: Chahine EB, et al. Bedaquiline: a novel diarylquinoline for multidrug-resistant tuberculosis. Ann Pharmacother. 2014 Jan;48(1):107-15.

Title: Pang Y, et al. In Vitro Activity of Bedaquiline against Nontuberculous Mycobacteria in China. Antimicrob Agents Chemother. 2017 Apr 24;61(5).

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