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| Targets |
Acamprosate-d3 calcium targets the same receptors as acamprosate, which is a GABA receptor agonist and modulator of glutamatergic systems. Despite its structural similarity to GABA, acamprosate does not act at GABAA receptors but may inhibit GABAB autoreceptor-mediated inhibition of GABA release. Acamprosate-d3 is not typically used for pharmacological studies of the target itself, but rather as a labeled analog for analytical purposes.
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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].
In vitro activity data for Acamprosate-d3 calcium are not typically generated, as the compound is primarily used as an internal standard. The biological activity of Acamprosate-d3 is expected to be similar to that of acamprosate, which decreases paired-pulse inhibition of GABAA inhibitory postsynaptic currents at 300 µM. However, Acamprosate-d3 is not typically used for activity assays. |
| ln Vivo |
In vivo studies using Acamprosate-d3 calcium are primarily pharmacokinetic in nature. The compound is used as an internal standard to study the pharmacokinetics, metabolic pathways, and mechanisms of action of acamprosate. Deuterium-labeled compounds are used to track the parent drug and its metabolites in biological samples.
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| Enzyme Assay |
The use of Acamprosate-d3 calcium in in vitro experiments is primarily analytical. It is used as an internal standard in liquid chromatography-mass spectrometry (LC-MS) methods for the quantification of acamprosate in biological samples. The compound is added to samples at a known concentration, and the ratio of acamprosate to Acamprosate-d3 is used to calculate the concentration of acamprosate.
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| Cell Assay |
In vitro cellular assays are not typically performed with Acamprosate-d3 calcium, as the compound is primarily used as an analytical standard. If cellular studies were performed, they would be similar to those for acamprosate, assessing GABA receptor modulation. However, the primary use of Acamprosate-d3 is in analytical chemistry and pharmacokinetic studies.
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| Animal Protocol |
Acamprosate-d3 calcium is used in pharmacokinetic studies in animals and humans. The compound is administered along with acamprosate, and blood or tissue samples are collected at various time points. The concentration of Acamprosate-d3 is measured by LC-MS. Pharmacokinetic parameters such as Cmax, Tmax, half-life, and AUC are calculated.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Acamprosate-d3 calcium are similar to those of acamprosate, as the deuterium label does not significantly alter the compound's physicochemical properties. The compound has a molecular weight of 203.26. Acamprosate-d3 is used as an internal standard in pharmacokinetic studies to accurately measure acamprosate concentrations.
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| Toxicity/Toxicokinetics |
Acamprosate-d3 calcium is a stable isotope-labeled compound with a purity of ≥99% deuterated forms. It is a solid and is slightly soluble in water. As a labeled compound, it is not typically used for toxicology studies; its primary use is analytical. Acamprosate-d3 calcium is for research use only and not for human use.
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| References | |
| Additional Infomation |
Acamprosate-d3 calcium is the deuterium-labeled form of acamprosate calcium, a GABA receptor agonist and modulator of glutamatergic systems. It is intended for use as an internal standard for the quantification of acamprosate by GC- or LC-MS. The compound has a molecular weight of 203.26. No clinical trials or regulatory approvals have been reported for Acamprosate-d3 itself.
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| Molecular Formula |
C5H7D3CANO4S+
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|---|---|
| Molecular Weight |
203.26
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| Exact Mass |
223.014
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| CAS # |
1225580-94-8
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| Related CAS # |
Acamprosate calcium;77337-73-6
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| PubChem CID |
49849534
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| Appearance |
White to off-white solid powder
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| LogP |
1.194
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
12
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| Complexity |
202
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C(=O)NCCCS(=O)(=O)[O-].[Ca+2]
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| InChi Key |
WPEXQWVYZZXPJW-NIIDSAIPSA-M
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| InChi Code |
InChI=1S/C5H11NO4S.Ca/c1-5(7)6-3-2-4-11(8,9)10;/h2-4H2,1H3,(H,6,7)(H,8,9,10);/q;+2/p-1/i1D3;
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| Chemical Name |
calcium;3-[(2,2,2-trideuterioacetyl)amino]propane-1-sulfonate
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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 | 4.9198 mL | 24.5990 mL | 49.1981 mL | |
| 5 mM | 0.9840 mL | 4.9198 mL | 9.8396 mL | |
| 10 mM | 0.4920 mL | 2.4599 mL | 4.9198 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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