| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
Haloperidol D4 targets the dopamine D2 receptor as an antagonist. The deuterium labeling does not significantly alter the pharmacological properties of haloperidol. Haloperidol is a typical antipsychotic that works by blocking dopamine D2 receptors in the brain, particularly in the mesolimbic and mesocortical pathways. The compound may also interact with other receptors including D1, D3, D4, and serotonin receptors. The D4 analog is used as an internal standard for analytical purposes.
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| ln Vitro |
In vitro, haloperidol D4 exhibits the same pharmacological activity as unlabeled haloperidol, acting as a dopamine D2 receptor antagonist. However, the primary use of the D4 analog is as an analytical standard rather than for pharmacological studies. The compound is used in receptor binding assays as a reference standard. Its in vitro activity includes inhibition of dopamine-mediated signaling in cells expressing D2 receptors. Specific IC₅₀ values for haloperidol D4 have not been reported separately from the unlabeled compound.
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| ln Vivo |
In vivo, haloperidol D4 is not typically used for pharmacological studies but rather as an internal standard for measuring haloperidol levels in biological samples. The deuterium-labeled compound behaves similarly to unlabeled haloperidol in vivo. Haloperidol is used clinically as an antipsychotic, and its in vivo effects include reduction of psychotic symptoms through dopamine D2 receptor blockade. The D4 analog is used in pharmacokinetic studies to track haloperidol levels.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for haloperidol D4 typically involve competition binding studies using membranes from cells expressing human dopamine D2 receptors. The compound is incubated with various concentrations of radiolabeled ligand (e.g., ³H-spiperone or ³H-raclopride) in binding buffer. Nonspecific binding is determined in the presence of excess unlabeled haloperidol. Following incubation, bound and free ligand are separated by filtration, and bound radioactivity is measured by scintillation counting. Competition curves are generated, and IC₅₀ or Kᵢ values are calculated.
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| Cell Assay |
In vitro cell-based assays for haloperidol D4 are not typically performed, as the compound is primarily used as an analytical standard. However, the unlabeled haloperidol is studied in cell lines expressing dopamine D2 receptors (e.g., CHO cells stably expressing human D2 receptors). Cells are treated with haloperidol (or the D4 analog as a control), and receptor signaling is assessed by measuring cAMP accumulation (inhibition of forskolin-stimulated cAMP), calcium mobilization, or reporter gene activity. The D4 analog would be expected to have identical effects to unlabeled haloperidol.
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| Animal Protocol |
In vivo animal studies with haloperidol D4 are not typically performed, as the compound is primarily used as an analytical standard. The unlabeled haloperidol is extensively studied in animal models of psychosis, including amphetamine-induced hyperactivity, conditioned avoidance response, and prepulse inhibition of startle. Haloperidol is administered to rodents via various routes (oral, intraperitoneal, subcutaneous) at doses ranging from 0.1 to 5 mg/kg. Behavioral, biochemical, and neurochemical endpoints are assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of haloperidol D4 are identical to those of unlabeled haloperidol. The compound is used as an internal standard in PK studies to quantify haloperidol levels in biological samples. Haloperidol is well-absorbed after oral administration, with a bioavailability of approximately 60-70%. It is highly protein-bound (approximately 92%) and extensively metabolized in the liver via CYP3A4 and CYP2D6. The elimination half-life is approximately 14-26 hours. The D4 analog is used to correct for matrix effects and ion suppression in MS analysis.
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| Toxicity/Toxicokinetics |
The toxicity profile of haloperidol D4 is identical to that of unlabeled haloperidol. Haloperidol has well-characterized toxicities including extrapyramidal symptoms (parkinsonism, dystonia, akathisia), tardive dyskinesia, neuroleptic malignant syndrome, QT prolongation, and sedation. The compound is not intended for therapeutic use in the D4 form. The D4 analog is used only in small quantities as an analytical standard.
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| Additional Infomation |
Haloperidol D4 is a deuterium-labeled analytical standard used primarily in mass spectrometry as an internal standard for quantifying haloperidol concentrations in biological matrices. It is a dopamine D2 receptor antagonist. The compound is also known as Haloperidol D4' and fluorinated haloperidol D4'. It has a molecular formula of C₂₁H₂₃ClFNO₂ and a molecular weight of 379.89. The compound is supplied with purity ≥95-98%. It is not an approved therapeutic drug and is intended for research and analytical applications only. The compound should be stored appropriately.
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| Molecular Formula |
C21H23NO2FCL
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|---|---|
| Molecular Weight |
375.86422
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| Exact Mass |
379.165
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| CAS # |
136765-35-0
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| Related CAS # |
Haloperidol;52-86-8;Haloperidol-d4;1189986-59-1;Haloperidol hydrochloride;1511-16-6;Haloperidol lactate;53515-91-6
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| PubChem CID |
45358996
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| Appearance |
White to off-white solid powder
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| Melting Point |
148-150ºC
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| Flash Point |
9℃
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| LogP |
4.363
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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 |
6
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| Heavy Atom Count |
26
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| Complexity |
451
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O)[2H])[2H])F)[2H]
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| InChi Key |
LNEPOXFFQSENCJ-AKPGVGPLSA-N
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| InChi Code |
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2/i3D,4D,9D,10D
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| Chemical Name |
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
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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 | 2.6606 mL | 13.3028 mL | 26.6057 mL | |
| 5 mM | 0.5321 mL | 2.6606 mL | 5.3211 mL | |
| 10 mM | 0.2661 mL | 1.3303 mL | 2.6606 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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