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| Targets |
As an isotope-labeled internal standard, Hydrochlorothiazid-d2 does not have a defined biological target as a standalone compound. Its primary application is as an analytical standard for the quantification of the diuretic drug hydrochlorothiazide. Hydrochlorothiazide, the non-deuterated parent compound, is a thiazide diuretic that targets the sodium-chloride symporter (NCC) in the distal convoluted tubule of the kidney. By inhibiting NCC, hydrochlorothiazide reduces sodium and chloride reabsorption, leading to increased urine output and decreased blood pressure. The deuterated form serves as an internal standard for accurate measurement.
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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].
As a deuterated internal standard, Hydrochlorothiazid-d2 does not have intrinsic in vitro biological activity that is separately characterized from its non-deuterated parent compound. Hydrochlorothiazide, the non-labeled form, is a thiazide diuretic that inhibits the sodium-chloride symporter in the distal convoluted tubule. In vitro, its activity is assessed in renal cell models measuring electrolyte transport and NCC inhibition. The deuterated form serves as an internal standard in analytical studies rather than as a test compound for biological activity assessment. |
| ln Vivo |
Hydrochlorothiazid-d2 is not used for in vivo pharmacological activity assessment as a standalone compound. Its primary application is as an internal standard for the quantification of hydrochlorothiazide in biological samples from in vivo studies. Hydrochlorothiazide, the non-deuterated form, is a widely used thiazide diuretic for the treatment of hypertension and edema. It is administered orally and exerts its effects by inhibiting sodium reabsorption in the kidney. The deuterated internal standard enables accurate measurement of hydrochlorothiazide levels in pharmacokinetic and bioequivalence studies.
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| Enzyme Assay |
In vitro assays for Hydrochlorothiazid-d2 typically involve analytical methods for its detection and quantification rather than biological activity assessment. The compound is used as an internal standard in LC-MS/MS methods for the quantification of hydrochlorothiazide in plasma, urine, and other biological matrices. Sample preparation typically involves protein precipitation or solid-phase extraction, followed by chromatographic separation on reversed-phase columns. The ion transitions for the deuterated internal standard are monitored in multiple reaction monitoring (MRM) mode to ensure accurate quantification. The compound serves as a critical quality control standard in these analytical methods.
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| Cell Assay |
Hydrochlorothiazid-d2 is not used in cell-based assays as a test compound. Its primary application is as an internal standard for LC-MS/MS quantification in cell culture media or cell lysates from in vitro studies. The compound is used to correct for analytical variability in the quantification of hydrochlorothiazide in samples from cell-based permeability, transport, and metabolism studies. Standard analytical procedures are employed for its characterization and quantification.
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| Animal Protocol |
Hydrochlorothiazid-d2 is not used in animal studies as a pharmacological agent. Its primary application is as an internal standard for the quantification of hydrochlorothiazide in plasma, urine, and tissue samples from pharmacokinetic and toxicokinetic studies. The compound is typically administered as a tracer or co-administered with the non-deuterated drug to enable accurate quantification. Sample collection at various time points is followed by LC-MS/MS analysis using Hydrochlorothiazid-d2 as the internal standard. All procedures comply with institutional animal care and use guidelines.
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| ADME/Pharmacokinetics |
Hydrochlorothiazid-d2 is used as an internal standard for the quantification of hydrochlorothiazide by GC- or LC-mass spectrometry. It has a molecular weight of approximately 299.15 g/mol and a molecular formula of C₇H₆Cl₂D₂N₄O₄S₂. As an isotope-labeled compound, its chromatographic and mass spectrometric behavior is nearly identical to that of non-deuterated hydrochlorothiazide, allowing for precise correction of analytical variability. The compound is typically stored under conditions recommended for stable isotope-labeled standards. Its pharmacokinetic properties as a tracer mirror those of the parent compound.
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| Toxicity/Toxicokinetics |
Hydrochlorothiazid-d2 is intended for research and analytical use only and is not approved for human therapeutic applications. As a stable isotope-labeled internal standard, it is used in trace quantities in analytical methods and does not present significant toxicological concerns at these levels. The non-deuterated parent compound, hydrochlorothiazide, is an approved diuretic with well-characterized safety and efficacy profiles. Standard laboratory safety precautions should be observed when handling Hydrochlorothiazid-d2, including the use of appropriate personal protective equipment.
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| References |
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| Additional Infomation |
Hydrochlorothiazid-d2 (HCTZ-d2) (CAS#: 1219798-89-6) is the deuterium-labeled form of Hydrochlorothiazide. It is intended for use as an internal standard for the quantification of hydrochlorothiazide by GC- or LC-mass spectrometry. Hydrochlorothiazide is a thiazide diuretic used to treat hypertension and edema. The deuterated compound is a critical tool for bioequivalence studies, pharmacokinetic analysis, and therapeutic drug monitoring. This compound is not a drug and is strictly a research reagent for analytical applications.
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| Molecular Formula |
C7H6D2CLN3O4S2
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|---|---|
| Molecular Weight |
299.75
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| Exact Mass |
296.964
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| CAS # |
1219798-89-6
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| Related CAS # |
Hydrochlorothiazide;58-93-5
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| PubChem CID |
76973170
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| Appearance |
White to off-white solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
577.0±60.0 °C at 760 mmHg
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| Flash Point |
302.7±32.9 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.632
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| LogP |
-0.07
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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 |
1
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| Heavy Atom Count |
17
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| Complexity |
494
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1(NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)[2H]
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| InChi Key |
JZUFKLXOESDKRF-SMZGMGDZSA-N
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| InChi Code |
InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)/i3D2
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| Chemical Name |
6-chloro-3,3-dideuterio-1,1-dioxo-2,4-dihydro-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 |
| 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 | 3.3361 mL | 16.6806 mL | 33.3611 mL | |
| 5 mM | 0.6672 mL | 3.3361 mL | 6.6722 mL | |
| 10 mM | 0.3336 mL | 1.6681 mL | 3.3361 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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