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Bedaquiline fumarate Bacterial inhibitor

Cat.No.S4854

Bedaquiline fumarate (TMC-207), an oral diarylquinoline, is a bactericidal antimycobacterial drug. It is a proton-translocating ATP synthetase inhibitor.
Bedaquiline fumarate Bacterial inhibitor Chemical Structure

Chemical Structure

Molecular Weight: 671.58

Quality Control

Chemical Information, Storage & Stability

Molecular Weight 671.58 Formula

C32H31BrN2O2.C4H4O4

Storage (From the date of receipt)
CAS No. 845533-86-0 -- Storage of Stock Solutions

Synonyms TMC-207 Smiles CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O.C(=CC(=O)O)C(=O)O

Solubility

In vitro
Batch:

DMSO : 100 mg/mL (148.9 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 4 mg/mL

Water : Insoluble

Molarity Calculator

Mass Concentration Volume Molecular Weight

In vivo
Batch:

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

mg/kg
g
μL

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO
%
% Tween 80
% ddH2O
% DMSO
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Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number Recruitment Conditions Sponsor/Collaborators Start Date Phases
NCT01341184 Completed
Tuberculosis
National Institute of Allergy and Infectious Diseases (NIAID)
October 21 2011 Phase 1
NCT01215110 Completed
Pulmonary Tuberculosis
Global Alliance for TB Drug Development
April 2010 Phase 2
NCT02216331 Completed
Tuberculosis
Global Alliance for TB Drug Development
March 2010 Phase 1

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