| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
Not applicable for the deuterated standard. Betahistine (parent) is a histamine H1 receptor agonist (partial) and a histamine H3 receptor antagonist. It increases blood flow in the inner ear and may reduce endolymphatic pressure. Betahistine is used in research to study histaminergic and vestibular pathways.
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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].
Not applicable. Betahistine-d3 is not used for measuring pharmacological activity. Unlabeled betahistine, at concentrations of 0.1‑10 uM, binds to H1 receptors (Ki approx. 1 uM) and H3 receptors (Ki approx. 100 nM). It has weak H2 receptor activity. It is used to study vestibular compensation and histamine‑induced vasodilation. |
| ln Vivo |
Not applicable. Betahistine-d3 is an analytical standard and is not used for in vivo activity assays. The parent compound betahistine is used clinically for Ménière's disease (vertigo, tinnitus, hearing loss). In research, it is used to study histamine receptor function. The labeled standard is used in ADME studies.
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| Enzyme Assay |
For analytical method development, Betahistine-d3 dihydrochloride is used as an internal standard. A stock solution is prepared in methanol or acetonitrile at 1 mg/mL. Calibration standards are prepared by spiking blank biological matrix (e.g., plasma, urine) with known concentrations of unlabeled betahistine dihydrochloride (0.1‑1000 ng/mL) and a fixed concentration of Betahistine-d3 (10‑100 ng/mL). Proteins are precipitated with 3‑5 volumes of acetonitrile containing the internal standard. After centrifugation, the supernatant is evaporated under nitrogen and reconstituted in mobile phase (0.1% formic acid in water/methanol). Analysis is performed by LC‑MS/MS in MRM mode, monitoring transitions: for betahistine, m/z 161.1 → 116.1; for betahistine-d3 (N‑methyl-d3), m/z 164.1 → 119.1. The peak area ratio (analyte/IS) is plotted against the nominal concentration to generate a calibration curve.
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| Cell Assay |
Betahistine-d3 dihydrochloride is not used in cellular activity assays. In research, the parent compound betahistine can be used to study H1 and H3 receptor modulation. CHO cells expressing H1 receptors are loaded with Fluo‑4 AM, and calcium flux is measured after betahistine stimulation (EC50 ~5‑10 uM). The labeled compound is not used in such assays.
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| Animal Protocol |
Betahistine-d3 dihydrochloride is used in pharmacokinetic (PK) studies of betahistine. Animals (e.g., male Sprague‑Dawley rats, 200‑300 g) are administered an oral or intravenous dose of betahistine dihydrochloride (0.5‑5 mg/kg). Blood samples are collected at predetermined time points (0, 0.25, 0.5, 1, 2, 4, 6, 8 h). Plasma is separated, and the concentration of betahistine is measured by LC‑MS/MS using Betahistine-d3 as an internal standard. Betahistine has an oral bioavailability of approximately 50‑60% and a half‑life of 1‑2 hours in rats, and 3‑5 hours in humans. The deuterium label does not alter PK.
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| ADME/Pharmacokinetics |
Betahistine-d3 dihydrochloride (MW 212.14, C8H9D3N2·2HCl) is a stable isotope‑labeled compound. Betahistine is a histamine analog with a short half‑life. It is rapidly metabolized by monoamine oxidase B (MAO‑B) in the liver to 2‑pyridylacetic acid (inactive). The labeled standard is used as an internal standard.
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| Toxicity/Toxicokinetics |
Betahistine-d3 dihydrochloride is non‑toxic at the concentrations used as an internal standard. Unlabeled betahistine is a clinically approved drug; common adverse effects include nausea, headache, and dyspepsia. The labeled analog is for research and analytical use only.
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| References |
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| Additional Infomation |
Betahistine-d3 dihydrochloride (CAS 244094-72-2) is a stable isotope‑labeled internal standard for LC‑MS/MS quantification of betahistine, a drug used for Ménière's disease. The labeled analog is for research use only.
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| Molecular Formula |
C8H11D3CL2N2
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|---|---|
| Molecular Weight |
212.13
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| Exact Mass |
211.072
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| CAS # |
244094-72-2
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| Related CAS # |
Betahistine dihydrochloride;5579-84-0
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| PubChem CID |
71776456
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| Appearance |
Off-white to light yellow solid powder
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| Melting Point |
109-111ºC
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| LogP |
2.838
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
12
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| Complexity |
83.3
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])NCCC1=CC=CC=N1.Cl.Cl
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| InChi Key |
XVDFMHARQUBJRE-GXXYEPOPSA-N
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| InChi Code |
InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H/i1D3;;
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| Chemical Name |
2-pyridin-2-yl-N-(trideuteriomethyl)ethanamine;dihydrochloride
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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, avoid exposure to moisture. |
| 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 | 4.7141 mL | 23.5705 mL | 47.1409 mL | |
| 5 mM | 0.9428 mL | 4.7141 mL | 9.4282 mL | |
| 10 mM | 0.4714 mL | 2.3570 mL | 4.7141 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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