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Levofloxacin-13C,d3-Ofloxacin-13C,d3)

Cat No.:V48127 Purity: ≥98%
Levofloxacin-13C,d3 is a 13C- and deuterated labeled Levofloxacin.
Levofloxacin-13C,d3-Ofloxacin-13C,d3)
Levofloxacin-13C,d3-Ofloxacin-13C,d3) Chemical Structure CAS No.: 1261398-33-7
Product category: New3
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 Levofloxacin-13C,d3-Ofloxacin-13C,d3):

  • Desmethyl Levofloxacin-d8 hydrochloride
  • Desmethyl Levofloxacin hydrochloride
  • Defluoro Levofloxacin (Standard)
  • Defluoro Levofloxacin
  • Levofloxacin-d3 hydrochloride
  • Levofloxacin [(-)-Ofloxacin]
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Levofloxacin-13C,d3 is a 13C- and deuterated labeled Levofloxacin. Levofloxacin is a synthetic fluoroquinolone antibiotic that can inhibit the supercoiling activity of bacterial DNA gyrase and prevents DNA replication.
Levofloxacin-13C,d3 (CAS 1261398-33-7) is a dual-labeled (¹³C and d₃) stable isotope analog of Levofloxacin, a synthetic fluoroquinolone antibiotic. Levofloxacin is a type of quinolone drug with broad-spectrum antibacterial effects and inhibits bacterial DNA gyrase enzyme's supercoiling activity, thereby preventing DNA replication. The labeled analog is intended for use as an internal standard for the quantification of Levofloxacin by GC- or LC-mass spectrometry. It has a molecular formula of C₁₇¹³CH₁₇D₃FN₃O₄ and a molecular weight of 365.38.
Biological Activity I Assay Protocols (From Reference)
Targets
Levofloxacin-13C,d3 targets the same bacterial enzymes as unlabeled Levofloxacin. Levofloxacin inhibits bacterial DNA gyrase (topoisomerase II) and topoisomerase IV, enzymes essential for bacterial DNA replication, transcription, repair, and recombination. The compound is a synthetic fluoroquinolone antibiotic with broad-spectrum antibacterial effects.
ln Vitro
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [83].
Levofloxacin-13C,d3 is used in vitro as a tracer to study the antibacterial activity and pharmacokinetics of Levofloxacin. The compound does not exhibit intrinsic pharmacological activity beyond that of Levofloxacin but serves as a quantitative tool for studying antibiotic uptake, distribution, and metabolism in bacterial and mammalian cells. Levofloxacin inhibits bacterial DNA gyrase.
ln Vivo
In vivo, Levofloxacin-13C,d3 is used in pharmacokinetic and pharmacodynamic studies to trace the distribution and metabolism of Levofloxacin in animal models. The dual isotope label (¹³C and d₃) allows for precise quantification of the antibiotic and its metabolites in plasma and tissues using mass spectrometry.
Enzyme Assay
As an internal standard, Levofloxacin-13C,d3 is used in analytical assays such as LC-MS/MS. Typical protocols involve spiking the labeled compound into biological samples prior to extraction and analysis. The labeled compound co-elutes with the unlabeled Levofloxacin but is detected at a different mass-to-charge ratio, allowing for precise quantification and correction for matrix effects.
Cell Assay
In vitro cell-based experiments using Levofloxacin-13C,d3 involve treating bacterial or mammalian cells with the compound and analyzing its uptake and metabolism by mass spectrometry. The compound can be used to study antibiotic resistance mechanisms and the pharmacokinetics of Levofloxacin in various cell types.
Animal Protocol
In vivo animal studies using Levofloxacin-13C,d3 involve administering the compound to rodents via oral gavage or intravenous injection. Blood samples are collected at various time points, and the concentration of the labeled compound is measured by mass spectrometry. Tissue distribution and metabolic profiling can also be performed.
ADME/Pharmacokinetics
Levofloxacin-13C,d3 exhibits pharmacokinetic properties similar to those of unlabeled Levofloxacin. Levofloxacin is rapidly absorbed after oral administration and has good tissue penetration. It is metabolized in the liver and excreted primarily in urine. The isotope labels provide distinct mass shifts for analytical detection.
Toxicity/Toxicokinetics
Levofloxacin-13C,d3 is considered safe for research use at typical concentrations. Unlabeled Levofloxacin has a well-established safety profile but can cause adverse effects such as gastrointestinal disturbances and tendon damage. As a stable isotope-labeled compound, it is not intended for therapeutic use and is handled under standard laboratory safety practices.
References

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223.

[2]. Effect of levofloxacin on neutrophilic airway inflammation in stable COPD: a randomized, double-blind, placebo-controlled trial. Int J Chron Obstruct Pulmon Dis, 2014. 9: p. 179-86.

[3]. Clinical and microbiological effects of levofloxacin in the treatment of chronic periodontitis: a randomized, placebo-controlled clinical trial. J Investig Clin Dent, 2014.

[4]. Efficacy of Levofloxacin in the Treatment of BK Viremia: A Multicenter, Double-Blinded, Randomized, Placebo-Controlled Trial. Clin J Am Soc Nephrol, 2014.

Additional Infomation
Levofloxacin-13C,d3 has a molecular formula of C₁₇¹³CH₁₇D₃FN₃O₄ and a molecular weight of 365.38. Purity is typically ≥98% with 98 atom% D and 99% ¹³C. The compound is stored under standard conditions for stable isotope-labeled compounds and is primarily used as an internal standard for mass spectrometry-based quantification of Levofloxacin.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C18H20FN3O4
Molecular Weight
365.37864780426
Exact Mass
365.165
CAS #
1261398-33-7
Related CAS #
Levofloxacin;100986-85-4
PubChem CID
49849761
Appearance
White to off-white solid powder
LogP
-0.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
2
Heavy Atom Count
26
Complexity
634
Defined Atom Stereocenter Count
1
SMILES
FC1C([H])=C2C(C(C(=O)O[H])=C([H])N3C2=C(C=1N1C([H])([H])C([H])([H])N([13C]([2H])([2H])[2H])C([H])([H])C1([H])[H])OC([H])([H])[C@]3([H])C([H])([H])[H])=O
InChi Key
GSDSWSVVBLHKDQ-BSEWDJTNSA-N
InChi Code
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1/i2+1D3
Chemical Name
(2S)-7-fluoro-2-methyl-10-oxo-6-[4-(trideuterio(113C)methyl)piperazin-1-yl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
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

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 2.7369 mL 13.6844 mL 27.3688 mL
5 mM 0.5474 mL 2.7369 mL 5.4738 mL
10 mM 0.2737 mL 1.3684 mL 2.7369 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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