1. Others Anti-infection
  2. Bacterial Antibiotic Isotope-Labeled Compounds
  3. (Rac)-Bedaquiline-d6

(Rac)-Bedaquiline-d6 is the deuterium labeled Bedaquiline (HY-14881). Bedaquiline (TMC207) is a diarylquinoline agent and inhibits Mycobacterium tuberculosis (Mtb) F1FO-ATP synthase through targeting of both the c- and the ε-subunit. Bedaquiline has uncoupler activity. Bedaquiline is used for the multi-agent resistant tuberculosis.

For research use only. We do not sell to patients.

(Rac)-Bedaquiline-d<sub>6</sub> Chemical Structure

(Rac)-Bedaquiline-d6 Chemical Structure

CAS No. : 2517573-53-2

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Based on 1 publication(s) in Google Scholar

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Description

(Rac)-Bedaquiline-d6 is the deuterium labeled Bedaquiline (HY-14881)[1]. Bedaquiline (TMC207) is a diarylquinoline agent and inhibits Mycobacterium tuberculosis (Mtb) F1FO-ATP synthase through targeting of both the c- and the ε-subunit[2]. Bedaquiline has uncoupler activity. Bedaquiline is used for the multi-agent resistant tuberculosis[3].

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

561.54

Formula

C32H25D6BrN2O2

CAS No.
Unlabeled CAS
Appearance

Solid

Color

White to off-white

SMILES

BrC1=CC=C(N=C(OC)C(C(C(C2=CC=CC3=C2C=CC=C3)(O)CCN(C([2H])([2H])[2H])C([2H])([2H])[2H])C4=CC=CC=C4)=C5)C5=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage
Powder -20°C 3 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 12.5 mg/mL (22.26 mM; Need ultrasonic and warming; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 1.7808 mL 8.9041 mL 17.8082 mL
5 mM 0.3562 mL 1.7808 mL 3.5616 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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This equation is commonly abbreviated as: C1V1 = C2V2

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In Vivo Dissolution Calculator
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Calculation results:
Working solution concentration: mg/mL
Purity & Documentation

Purity: ≥99.0%

References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 1.7808 mL 8.9041 mL 17.8082 mL 44.5204 mL
5 mM 0.3562 mL 1.7808 mL 3.5616 mL 8.9041 mL
10 mM 0.1781 mL 0.8904 mL 1.7808 mL 4.4520 mL
15 mM 0.1187 mL 0.5936 mL 1.1872 mL 2.9680 mL
20 mM 0.0890 mL 0.4452 mL 0.8904 mL 2.2260 mL
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Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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Product Name:
(Rac)-Bedaquiline-d6
Cat. No.:
HY-14881S1
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