| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Bumetanide D5 targets the same biological targets as its unlabeled parent drug. Bumetanide is a potent loop diuretic that acts as a selective Na+-K+-Cl- (NKCC1) inhibitor and weakly inhibits NKCC2, with IC50 values of 0.68 and 4.0 μM for hNKCC1A and hNKCC2A, respectively. By inhibiting these cotransporters in the thick ascending limb of the loop of Henle, it promotes the excretion of water and salts from the body.
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| ln Vitro |
Bumetanide D5 is primarily used as an analytical internal standard rather than for its pharmacological activity. Bumetanide itself is a potent loop diuretic used to treat heart failure, liver cirrhosis, and renal disease. The in vitro potency of the deuterated analog is expected to be identical, but its use is confined to serving as a tracer or standard in bioanalytical assays.
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| ln Vivo |
In vivo, Bumetanide is a potent diuretic used to promote the excretion of water and salts. Bumetanide D5 serves as a critical tool in in vivo pharmacokinetic studies. It can be co-administered with unlabeled drug to accurately track absorption, distribution, metabolism, and excretion (ADME) profiles using LC-MS/MS. Its primary in vivo application is as an internal standard for bioanalysis, not for its diuretic effect.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for Bumetanide D5 are typically performed as part of analytical method validation. The compound is dissolved in an appropriate solvent (e.g., DMF, DMSO) and spiked into biological matrices at known concentrations to serve as an internal standard. Calibration curves are generated by plotting the peak area ratio of Bumetanide to Bumetanide D5 against the concentration of Bumetanide.
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| Cell Assay |
For in vitro cell-based assays, Bumetanide D5 can be used in studies investigating the compound's cellular effects, though its primary use is as an analytical internal standard. Cells expressing NKCC1 or NKCC2 can be treated with the compound, and its inhibitory effects on ion transport can be measured. However, due to its role as an internal standard, it is more frequently used in the analytical quantification of the parent drug from cell culture supernatants.
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| Animal Protocol |
In vivo animal studies with Bumetanide D5 are primarily pharmacokinetic. The compound is administered orally or intravenously to rodents, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Bumetanide are analyzed by LC-MS/MS using Bumetanide D5 as the internal standard. Pharmacodynamic effects, such as diuresis, can be evaluated, though the labeled compound's primary role is analytical.
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| ADME/Pharmacokinetics |
Bumetanide D5 (CAS: 1216739-35-3) has a molecular weight of 369.45 g/mol and a molecular formula of C17H15D5N2O5S. The compound features five deuterium atoms on the phenoxy ring, providing a +5 Da mass shift. It is soluble in DMF, DMSO, and ethanol. Storage is typically at 2-8°C. It is used as an internal standard for precise LC-MS/MS quantification.
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| Toxicity/Toxicokinetics |
Bumetanide D5 is used in very small quantities as an analytical internal standard and does not pose significant toxicity risks under normal handling. As a deuterium-labeled analog of an approved diuretic, it is expected to have a similar pharmacological profile, but toxicology studies are not typically performed on the labeled compound. Bumetanide is generally well-tolerated, with electrolyte imbalance being a primary concern.
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| References | |
| Additional Infomation |
Bumetanide D5 is a stable isotope-labeled internal standard for the loop diuretic Bumetanide. It is also known as Bumex-d5 or Burinex-d5. The compound is a critical reagent for pharmaceutical research, enabling accurate quantification in biological samples for pharmacokinetic, metabolic, and bioanalytical studies. It is not intended for human therapeutic use and is for research and analytical use only.
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| Molecular Formula |
C17H20N2O5S
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|---|---|
| Molecular Weight |
369.446911811829
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| Exact Mass |
369.141
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| CAS # |
1216739-35-3
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| Related CAS # |
Bumetanide;28395-03-1
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| PubChem CID |
46780915
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| Appearance |
White to off-white solid powder
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| Melting Point |
234-236 °C
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| LogP |
4.89
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
25
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| Complexity |
528
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCC)[2H])[2H]
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| InChi Key |
MAEIEVLCKWDQJH-UPKDRLQUSA-N
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| InChi Code |
InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)/i4D,5D,6D,7D,8D
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| Chemical Name |
3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic 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 | 2.7067 mL | 13.5336 mL | 27.0673 mL | |
| 5 mM | 0.5413 mL | 2.7067 mL | 5.4135 mL | |
| 10 mM | 0.2707 mL | 1.3534 mL | 2.7067 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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