| Size | Price | Stock | Qty |
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| Targets |
Ofloxacin-d3 targets bacterial DNA gyrase (topoisomerase II) and topoisomerase IV, which are essential enzymes for bacterial DNA replication, transcription, and repair. As a deuterated analog of Ofloxacin, it retains the same mechanism of action as the parent compound. It inhibits these enzymes by stabilizing the DNA-enzyme cleavage complex, leading to bacterial cell death. The deuterium substitution does not alter the primary pharmacological target but serves as a tracer for analytical purposes.
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| ln Vitro |
In the process of developing new drugs, stable heavy isotopes of carbon, hydrogen, and other elements have been added to pharmacological molecules, mostly as quantitative tracers. Due to its potential effects on medication pharmacokinetics and metabolic properties, deuteration is a matter for worry [75].
Ofloxacin-d3 exhibits antibacterial activity against most Gram-negative bacteria, many Gram-positive bacteria, and some anaerobic bacteria, consistent with the activity profile of the parent compound Ofloxacin. Its in vitro activity is typically evaluated using standard antimicrobial susceptibility testing methods such as broth microdilution or disk diffusion assays against a panel of reference bacterial strains. The minimum inhibitory concentrations (MICs) are determined to assess antibacterial potency. |
| ln Vivo |
In vivo activity of Ofloxacin-d3 is not typically studied as a therapeutic entity, as its primary use is as an analytical internal standard. However, as a deuterated analog of Ofloxacin, it would be expected to exhibit similar in vivo antibacterial efficacy to the parent compound. Ofloxacin is known to be effective in treating various bacterial infections in vivo, including respiratory, urinary tract, and skin infections.
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| Enzyme Assay |
The non-cellular enzyme/receptor binding assay for Ofloxacin-d3 is not typically performed, as its primary use is as an analytical internal standard rather than as a pharmacological tool. However, if studying its mechanism, assays would involve bacterial DNA gyrase supercoiling or relaxation assays. The compound's ability to inhibit DNA gyrase-mediated DNA supercoiling would be measured using plasmid DNA as substrate and purified enzyme.
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| Cell Assay |
In vitro cellular assays for Ofloxacin-d3 are not typically conducted for pharmacological evaluation. Instead, the compound is used as an internal standard in LC-MS/MS methods for quantifying Ofloxacin concentrations in biological matrices such as plasma, urine, and tissue homogenates. Sample preparation involves protein precipitation or solid-phase extraction, followed by chromatographic separation and mass spectrometric detection using selected reaction monitoring (SRM) transitions specific to the deuterated compound.
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| Animal Protocol |
In vivo animal studies for Ofloxacin-d3 are not conducted for pharmacological evaluation. Instead, the compound is administered to animals as part of pharmacokinetic studies to track the disposition of Ofloxacin using the deuterated analog as an internal standard. Animals are dosed with Ofloxacin, and blood or tissue samples are collected at various time points. Ofloxacin-d3 is added to samples before analysis to correct for matrix effects and extraction efficiency in LC-MS/MS quantification.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Ofloxacin-d3 are expected to be nearly identical to those of the parent compound Ofloxacin due to the minor isotopic substitution. Ofloxacin is well absorbed orally with bioavailability of approximately 90-95%. It is widely distributed in body tissues and fluids, with a plasma protein binding of about 20-25%. The elimination half-life is approximately 6-8 hours in humans. The compound is primarily excreted unchanged in urine.
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| Toxicity/Toxicokinetics |
The deuterium-labeled Ofloxacin-d3 is stable and non-toxic at the trace concentrations used as an internal standard. The parent compound Ofloxacin is generally well-tolerated, with common adverse effects including nausea, diarrhea, headache, and dizziness. Serious but rare adverse effects include tendon rupture and peripheral neuropathy. Ofloxacin-d3 itself is not administered at therapeutic doses for toxicity evaluation, as its use is limited to analytical applications.
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| References | |
| Additional Infomation |
Ofloxacin-d3 is a research-grade stable isotope-labeled compound intended for laboratory use as an analytical internal standard. It is not approved for clinical use as a therapeutic agent. Its primary application is in bioanalytical method development for the quantification of Ofloxacin in pharmacokinetic, bioavailability, and bioequivalence studies. The compound is also known as Ofloxacin D3 and has CAS number 1173147-91-5.
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| Molecular Formula |
C18H20N3O4F
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|---|---|
| Molecular Weight |
361.3675
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| Exact Mass |
364.163
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| CAS # |
1173147-91-5
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| Related CAS # |
Ofloxacin;82419-36-1
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| PubChem CID |
71312303
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| Appearance |
White to off-white solid powder
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| LogP |
1.546
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
26
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| Complexity |
634
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])N1CCN(CC1)C2=C(C=C3C4=C2OCC(N4C=C(C3=O)C(=O)O)C)F
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| InChi Key |
GSDSWSVVBLHKDQ-BMSJAHLVSA-N
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| 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)/i2D3
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| Chemical Name |
7-fluoro-2-methyl-10-oxo-6-[4-(trideuteriomethyl)piperazin-1-yl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-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) |
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
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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 | 2.7672 mL | 13.8362 mL | 27.6725 mL | |
| 5 mM | 0.5534 mL | 2.7672 mL | 5.5345 mL | |
| 10 mM | 0.2767 mL | 1.3836 mL | 2.7672 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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