| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Zuclopenthixol-d4 exhibits the same receptor-binding pharmacology as its non-deuterated parent compound, targeting dopamine D1 and D2 receptors, as well as serotonin 5-HT2 receptors. As a thioxanthene neuroleptic, it functions as an antipsychotic agent. The deuterated analog retains the full pharmacological profile of zuclopenthixol, including its CYP2D6-dependent metabolism and clinical outcome profile.
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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 exhibits binding affinities and functional activities identical to those of non-deuterated zuclopenthixol. The incorporation of deuterium at non-exchangeable positions does not affect the compound's interaction with dopamine or serotonin receptors. In vitro receptor binding studies confirm that the deuterated analog maintains the same potency and selectivity profile as the parent compound. Cell-based assays using the deuterated analog show the same pharmacological effects as the parent compound, including antagonism at dopamine D2 receptors and serotonin 5-HT2 receptors. The compound inhibits neurotransmitter-induced signaling pathways in cells expressing relevant receptors. Cellular responses are identical to those observed with non-deuterated zuclopenthixol, confirming that deuteration does not alter functional activity. |
| ln Vivo |
Zuclopenthixol-d4 succinate is used as an internal standard in LC-MS/MS methods for the quantification of zuclopenthixol in biological matrices. The deuterated compound is added to plasma or tissue samples at known concentrations prior to extraction. Samples are processed by protein precipitation or solid-phase extraction, followed by chromatographic separation and mass spectrometric detection. The deuterated internal standard corrects for matrix effects and extraction efficiency variations.
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| Enzyme Assay |
In vitro cell experiments using Zuclopenthixol-d4 follow standard protocols for antipsychotic drug testing. Cells expressing dopamine D2 or serotonin 5-HT2 receptors are treated with varying concentrations of the compound. Functional readouts such as calcium flux, cAMP accumulation, or reporter gene activity are measured. The deuterated compound produces identical concentration-response curves as the non-deuterated form.
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| Cell Assay |
In vivo pharmacokinetic studies utilize Zuclopenthixol-d4 as an internal standard for measuring zuclopenthixol concentrations in animal models. The compound is administered to rats or other species, and blood samples are collected at various time points. Samples are analyzed by LC-MS/MS using the deuterated internal standard for accurate quantification. Pharmacokinetic parameters including Cmax, Tmax, half-life, and AUC are calculated from the concentration-time data.
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| ADME/Pharmacokinetics |
As a deuterated internal standard, Zuclopenthixol-d4 exhibits identical pharmacokinetic properties to non-deuterated zuclopenthixol. The compound is metabolized primarily by CYP2D6. The deuterated form is used to accurately measure the pharmacokinetic parameters of zuclopenthixol in biological samples, correcting for variations in extraction efficiency and instrument response.
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| Toxicity/Toxicokinetics |
Zuclopenthixol-d4 succinate is not intended for therapeutic use but rather as an analytical standard. Toxicity studies are not applicable as the compound is used in trace amounts for analytical purposes. The succinate salt form is stable when stored at -20°C and is handled according to standard laboratory safety practices for analytical reference standards.
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| References |
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| Additional Infomation |
Zuclopenthixol-d4 succinate is a high-purity analytical reference standard produced under ISO17034 quality systems. It is used in pharmaceutical quality control and bioanalytical method development. The deuterated compound enables precise quantification in pharmacokinetic and drug monitoring studies without altering pharmacological behavior. It is distinguished from other deuterated antipsychotic internal standards by its unique receptor-binding pharmacology and clinical outcome profile.
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| Molecular Formula |
C26H31CLN2O5S
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|---|---|
| Molecular Weight |
519.052745103836
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| Exact Mass |
522.189
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| CAS # |
1246833-97-5
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| Related CAS # |
Zuclopenthixol;53772-83-1;trans-Clopenthixol dihydrochloride;58045-22-0
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| PubChem CID |
71753041
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| Appearance |
White to light yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
35
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| Complexity |
601
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C(=O)O)CC(=O)O.C(=C1C2=CC=CC=C2SC2=CC=C(Cl)C=C12)CCN1CCN(C([H])([H])C([H])([H])O)CC1
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| InChi Key |
KUEAHHOXAMWWOW-PUOCTRNESA-N
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| InChi Code |
InChI=1S/C22H25ClN2OS.C4H6O4/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;5-3(6)1-2-4(7)8/h1-2,4-8,16,26H,3,9-15H2;1-2H2,(H,5,6)(H,7,8)/b18-5-;/i14D2,15D2;
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| Chemical Name |
butanedioic acid;2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]-1,1,2,2-tetradeuterioethanol
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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 | 1.9266 mL | 9.6330 mL | 19.2660 mL | |
| 5 mM | 0.3853 mL | 1.9266 mL | 3.8532 mL | |
| 10 mM | 0.1927 mL | 0.9633 mL | 1.9266 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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