| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
(Rac)-Bendroflumethiazide-d5 shares the same molecular target as its non-deuterated form, bendroflumethiazide. Bendroflumethiazide is a thiazide diuretic that inhibits the sodium-chloride cotransporter (NCC) in the distal convoluted tubule of the kidney. By blocking NCC, bendroflumethiazide reduces sodium and chloride reabsorption, leading to increased urine output and decreased blood volume. Thiazide diuretics also have vasodilatory effects. The labeled compound is used as a tracer to study the pharmacokinetics and metabolism of bendroflumethiazide.
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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].
The deuterated compound itself does not possess intrinsic pharmacological activity in vitro; its biological activity is identical to that of bendroflumethiazide. Bendroflumethiazide is a potent inhibitor of NCC with an IC₅₀ in the micromolar range. In vitro studies have demonstrated that bendroflumethiazide effectively inhibits sodium transport in kidney epithelial cells expressing NCC. The labeled compound is used as an internal standard for quantifying bendroflumethiazide in biological samples, not for evaluating its own pharmacological activity. |
| ln Vivo |
(Rac)-Bendroflumethiazide-d5 is not used as a therapeutic agent; its non-deuterated form, bendroflumethiazide, is an orally active thiazide diuretic used in the treatment of hypertension and edema. Bendroflumethiazide is well-absorbed after oral administration and has a duration of action of 12-24 hours. It is metabolized in the liver and excreted in urine. The labeled compound is used in pharmacokinetic studies to accurately measure bendroflumethiazide concentrations in plasma and other biological matrices.
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| Enzyme Assay |
In vitro receptor binding assays for (rac)-bendroflumethiazide-d5 are not standard, as it is an analytical standard. The diuretic activity of its non-deuterated form is assessed using functional assays in kidney epithelial cells or perfused kidney tubules. The labeled compound is not used in these assays. When used in analytical studies, a standard protocol involves preparing a solution of the compound in an appropriate solvent and using it as an internal standard for LC-MS/MS analysis. The compound is added to biological samples before extraction and cleanup procedures. Quantification is performed by monitoring specific mass transitions.
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| Cell Assay |
In vitro cell culture experiments are not performed with (rac)-bendroflumethiazide-d5. When studying the effects of thiazide diuretics in cellular systems, the non-labeled compound is used. Kidney epithelial cells expressing NCC are treated with bendroflumethiazide, and sodium transport is measured using flux assays. The labeled compound is used as an internal standard for LC-MS/MS analysis of bendroflumethiazide concentrations in cell culture media or lysates.
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| Animal Protocol |
In vivo animal studies with (rac)-bendroflumethiazide-d5 are not conducted, as it is an analytical standard. When used in pharmacokinetic studies, the labeled compound serves as an internal standard for the quantification of bendroflumethiazide in animal plasma or tissue samples. In typical protocols, animals are administered bendroflumethiazide, and blood samples are collected at various time points. The labeled internal standard is added to the samples before analysis by LC-MS/MS to ensure accurate and precise quantification.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (rac)-bendroflumethiazide-d5 itself are not characterized, as it is not a drug substance. Bendroflumethiazide has a bioavailability of approximately 90-100% after oral administration, with a half-life of 3-4 hours in humans. It is metabolized in the liver and excreted in urine. The deuterated compound is used as an internal standard to accurately quantify bendroflumethiazide in pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
(Rac)-Bendroflumethiazide-d5 is not a therapeutic agent and has not been evaluated for toxicity in humans. Its non-deuterated form, bendroflumethiazide, is generally well-tolerated, with common side effects including electrolyte imbalances, dizziness, and gastrointestinal disturbances. Contraindications include anuria and hypersensitivity to sulfonamides. The deuterated compound is for research use only and should be handled with standard laboratory precautions.
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| References | |
| Additional Infomation |
(Rac)-Bendroflumethiazide-d5 is a stable isotope-labeled internal standard used in pharmacokinetic and metabolic studies of bendroflumethiazide. It is also known as rac bendroflumethiazide-d5. The compound is used in analytical method development, method validation, and quality control applications for generic drug products. The incorporation of deuterium allows for accurate quantification of bendroflumethiazide in biological samples using mass spectrometry.
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| Molecular Formula |
C15H9D5F3N3O4S2
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| Molecular Weight |
426.45
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| Exact Mass |
426.069
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| CAS # |
1330183-13-5
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| Related CAS # |
Bendroflumethiazide;73-48-3
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| PubChem CID |
71313654
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| Appearance |
White to off-white solid powder
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| Melting Point |
210-215°C
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| LogP |
4.954
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
27
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| Complexity |
740
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2)[2H])[2H]
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| InChi Key |
HDWIHXWEUNVBIY-RALIUCGRSA-N
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| InChi Code |
InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)/i1D,2D,3D,4D,5D
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| Chemical Name |
1,1-dioxo-3-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 2.3449 mL | 11.7247 mL | 23.4494 mL | |
| 5 mM | 0.4690 mL | 2.3449 mL | 4.6899 mL | |
| 10 mM | 0.2345 mL | 1.1725 mL | 2.3449 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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