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Moxifloxacin-d4 hydrochloride

Alias: BAY 12-8039-d4
Cat No.:V105579 Purity: ≥98%
Moxifloxacin-d4 hydrochloride (BAY 12-8039-d4) is the hydrochloride salt form of deuterium-labeled moxifloxacin.
Moxifloxacin-d4 hydrochloride
Moxifloxacin-d4 hydrochloride Chemical Structure Product category: Isotope-Labeled Compounds
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
Other Sizes

Other Forms of Moxifloxacin-d4 hydrochloride:

  • (Rac)-Moxifloxacin-d4
  • Moxifloxacin-d4 (BAY 12-8039-d4 free base)
  • rac cis-Moxifloxacin-d4 hydrochloride (rac cis-BAY 12-8039-d4)
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Top Publications Citing lnvivochem Products
Product Description
Moxifloxacin-d4 hydrochloride (BAY 12-8039-d4) is the hydrochloride form of deuterium-labeled Moxifloxacin (Moxifloxacin). Moxifloxacin is an orally active antibacterial agent used in the treatment of acute bacterial sinusitis, acute bacterial exacerbation of chronic bronchitis, and pneumonia.
Moxifloxacin-d4 hydrochloride (BAY 12-8039-d4) is a deuterium-labeled (4 deuterium atoms) form of the fluoroquinolone antibacterial agent moxifloxacin hydrochloride. It is the hydrochloride salt of moxifloxacin in which four hydrogen atoms are replaced with deuterium. This stable isotope-labeled compound is used as an internal standard for the quantification of moxifloxacin in biological samples by mass spectrometry (LC-MS/MS).
Biological Activity I Assay Protocols (From Reference)
Targets
Moxifloxacin-d4 hydrochloride is an analytical standard and has no direct biological target. The unlabeled parent drug, moxifloxacin, targets bacterial DNA gyrase (topoisomerase II) and topoisomerase IV, which are essential enzymes for bacterial DNA replication, transcription, and repair. By inhibiting these enzymes, moxifloxacin induces DNA double-strand breaks and bacterial cell death. The deuterium labeling does not alter the biological activity, but the labeled compound is used solely for analytical purposes.
ln Vitro
Moxifloxacin-d4 hydrochloride is not a drug and has no direct in vitro biological activity. It is used as an internal standard for the quantification of moxifloxacin in biological samples. The unlabeled moxifloxacin is a potent, broad-spectrum fluoroquinolone antibiotic with in vitro activity against Gram-positive and Gram-negative bacteria. MIC values for susceptible strains are typically <1 ug/mL. The deuterated version is not used in bioactivity assays.
ln Vivo
Not applicable. Moxifloxacin-d4 hydrochloride is not administered in vivo. It is an analytical internal standard used to quantify moxifloxacin in pharmacokinetic and bioequivalence studies. The unlabeled moxifloxacin is an orally active antibiotic used for the treatment of acute bacterial sinusitis, acute bacterial exacerbations of chronic bronchitis, and community-acquired pneumonia. The deuterated compound is not therapeutic.
Enzyme Assay
Not applicable. Moxifloxacin-d4 hydrochloride is an analytical standard, not a standard enzyme inhibitor. Its purity (>99%) is assessed by HPLC. The structure is confirmed by ¹H NMR, ¹3C NMR, and mass spectrometry. The deuterium content is determined by mass spectrometry. For analytical method development, a fixed amount of Moxifloxacin-d4 hydrochloride is added to the biological sample as an internal standard before extraction. The peak area ratio of the analyte to the internal standard is used for quantification.
Cell Assay
Not applicable. Moxifloxacin-d4 hydrochloride is not used in standard cell-based assays for drug discovery. For toxicity screening, HepG2 or HEK293 cells are seeded in 96-well plates (1×10⁴ cells/well) and treated with the compound (1-1000 uM) for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 is expected to be >500 uM, indicating very low cytotoxicity. The compound is an analytical standard, not a test agent for pharmacological studies.
Animal Protocol
For pharmacokinetic studies of moxifloxacin, male Sprague-Dawley rats (200-250 g, n=6/group) are administered moxifloxacin hydrochloride orally (20-100 mg/kg) or intravenously (10-20 mg/kg). Blood samples are collected at various time points. Moxifloxacin-d4 hydrochloride is added to the plasma samples as an internal standard before extraction. The concentration of unlabeled moxifloxacin is quantified by LC-MS/MS. PK parameters (Cmax, Tmax, AUC, t½, bioavailability) are calculated.
ADME/Pharmacokinetics
Moxifloxacin-d4 hydrochloride is an analytical standard, not a drug. The unlabeled moxifloxacin has a molecular weight of 437.89 (free base). Following oral administration, it is well absorbed (bioavailability ~90%), with a half-life of approximately 12 hours in humans. It is distributed into tissues and is eliminated primarily by renal and biliary excretion. For research use, the labeled compound is stored as a powder at -20degC, protected from light.
Toxicity/Toxicokinetics
For Moxifloxacin-d4 hydrochloride, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes). Storage: at -20degC, sealed, protect from light.
References

[1]. Moxifloxacin: clinical efficacy and safety. Am J Health Syst Pharm. 2001 Mar 1;58(5):379-88.

[2]. Moxifloxacin: a review of its clinical potential in the management of community-acquired respiratory tract infections. Drugs. 2000 Jan;59(1):115-39.

[3]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

Additional Infomation
Moxifloxacin-d4 hydrochloride (BAY 12-8039-d4; CAS# not assigned; MW ~441) is a research-grade stable isotope-labeled internal standard for the quantification of moxifloxacin. It is not an FDA-approved drug. It is used in LC-MS/MS method development for pharmacokinetic (PK) and bioequivalence (BE) studies. For research use only, not for diagnostic or therapeutic applications.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C21H21D4CLFN3O4
Molecular Weight
441.92
Related CAS #
Moxifloxacin-d4;2596386-23-9
Appearance
Solid powder
Synonyms
BAY 12-8039-d4
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.2629 mL 11.3143 mL 22.6285 mL
5 mM 0.4526 mL 2.2629 mL 4.5257 mL
10 mM 0.2263 mL 1.1314 mL 2.2629 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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