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| Targets |
As a stable isotope-labeled compound, Enrofloxacin-d5 itself does not exert antibacterial activity; its primary application is as an analytical internal standard. It is used to track and quantify the parent drug Enrofloxacin in biological samples. The target of the parent compound Enrofloxacin is bacterial DNA gyrase and topoisomerase IV, enzymes essential for bacterial DNA replication. Enrofloxacin-d5 serves as a tracer for studying the pharmacokinetics and metabolism of Enrofloxacin.
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| 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 [1].
Enrofloxacin-d5 itself does not exhibit direct in vitro antibacterial activity because it is a stable isotope-labeled tracer rather than an active pharmaceutical ingredient. However, the parent compound Enrofloxacin is an effective antibiotic with an MIC90 of 0.312 μg/mL for Mycoplasma bovis. It is active against panels of Campylobacter, E. coli, and Salmonella isolates with mean MIC50s of 0.06, 0.5, and 0.03 μg/mL, respectively. Enrofloxacin-d5 is used as an internal standard to accurately measure these activities in biological samples. |
| ln Vivo |
Enrofloxacin-d5 itself is not intended for in vivo administration as a therapeutic agent; it is used as an analytical standard. The in vivo activity of the parent compound Enrofloxacin has been well documented in veterinary medicine, where it is used to treat bacterial infections in animals. Enrofloxacin-d5 is utilized in pharmacokinetic studies to track the distribution, metabolism, and excretion of Enrofloxacin in animal models.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Enrofloxacin-d5 are not typically performed, as it is an analytical standard. Instead, the compound is used in analytical method development and validation. Quality control assays involve HPLC or LC-MS/MS to verify isotopic purity (≥98% atom D) and chemical purity. The compound is tested for stability under various storage conditions, including powder storage at -20°C for 3 years and in solvent at -80°C for 6 months.
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| Cell Assay |
In vitro cellular assays for Enrofloxacin-d5 are not applicable because the compound is used as an analytical standard rather than a bioactive compound. It is not tested in cellular models for biological activity. Instead, its utility is assessed by its performance as an internal standard in analytical workflows, including its ability to co-elute with the parent compound and provide accurate quantification in LC-MS/MS or GC-MS analyses.
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| Animal Protocol |
In vivo animal studies for Enrofloxacin-d5 are not conducted as therapeutic efficacy studies. Instead, the compound is administered to animals as a tracer in pharmacokinetic studies to quantify the parent drug Enrofloxacin in plasma, tissues, and excreta. These studies help determine the absorption, distribution, metabolism, and excretion (ADME) profile of Enrofloxacin. The labeled compound allows for precise tracking and identification of the antibiotic in biological matrices.
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| ADME/Pharmacokinetics |
Enrofloxacin-d5 has a molecular formula of C₁₉H₁₇D₅FN₃O₃ and a molecular weight of 364.43. It appears as a solid with a purity of ≥98% and a deuterium incorporation of ≥98 atom % D. The compound is stable as a powder at -20°C for 3 years and at 4°C for 2 years; in solvent, it is stable at -80°C for 6 months and at -20°C for 1 month. It is intended for research use only and is not for human or veterinary therapeutic use.
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| Toxicity/Toxicokinetics |
The toxicity profile of Enrofloxacin-d5 is not extensively characterized, as it is an analytical standard rather than a therapeutic agent. Standard safety data for handling isotopically labeled compounds in laboratory settings would apply. The parent compound Enrofloxacin has established safety profiles in veterinary medicine. Enrofloxacin-d5 is intended for research use only and is not approved for clinical use in humans. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Enrofloxacin-d5 (CAS 1173021-92-5) is the deuterium-labeled form of Enrofloxacin, a fluoroquinolone antibiotic. It has a molecular formula of C₁₉H₁₇D₅FN₃O₃ and a molecular weight of 364.43. This compound is specifically designed for use as an internal standard in GC-MS and LC-MS/MS workflows. Enrofloxacin is an effective antibiotic with an MIC90 of 0.312 μg/mL for Mycoplasma bovis. Enrofloxacin-d5 is intended for research use only and is not for human or veterinary therapeutic use. It is not approved for clinical use.
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| Molecular Formula |
C19H17D5FN3O3
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|---|---|
| Molecular Weight |
364.43
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| Exact Mass |
364.196
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| CAS # |
1173021-92-5
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| Related CAS # |
Enrofloxacin;93106-60-6;Enrofloxacin monohydrochloride;93106-59-3;Enrofloxacin-d5 hydrochloride
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| PubChem CID |
46781453
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| Appearance |
White to off-white solid powder
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| LogP |
2.318
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
613
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
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| InChi Key |
SPFYMRJSYKOXGV-ZBJDZAJPSA-N
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| InChi Code |
InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)/i1D3,2D2
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| Chemical Name |
1-cyclopropyl-6-fluoro-4-oxo-7-[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]quinoline-3-carboxylic acid
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : 2.94 mg/mL (8.07 mM)
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7440 mL | 13.7201 mL | 27.4401 mL | |
| 5 mM | 0.5488 mL | 2.7440 mL | 5.4880 mL | |
| 10 mM | 0.2744 mL | 1.3720 mL | 2.7440 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.
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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