| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 2mg |
|
||
| 5mg |
|
||
| 10mg | |||
| Other Sizes |
| Targets |
5-HT2A Receptor; 5-HT2C Receptor
Aripiprazole D8 targets dopamine D2 receptors, where it acts as a partial agonist rather than a full antagonist. This unique mechanism of action distinguishes aripiprazole from other antipsychotics, which are typically full antagonists at D2 receptors. The partial agonist activity at D2 receptors allows aripiprazole to stabilize dopamine signaling, reducing psychotic symptoms without causing the extrapyramidal side effects associated with full D2 receptor blockade. Aripiprazole also acts as a partial agonist at serotonin 5-HT1A receptors (Ki: 4.2 nM), which may contribute to its antidepressant and anxiolytic effects. In addition, aripiprazole is an antagonist at 5-HT2A receptors, which may contribute to its reduced risk of extrapyramidal side effects and its efficacy in treating negative symptoms of schizophrenia. The deuterium atoms in Aripiprazole D8 do not alter the compound's binding affinity or pharmacological activity, as the isotope substitution does not significantly affect the compound's three-dimensional structure or its interactions with its targets. |
|---|---|
| ln Vitro |
In vitro studies on Aripiprazole D8 are limited, as the compound is primarily used as an internal standard rather than as a pharmacological tool. However, the parent compound aripiprazole has been extensively characterized in vitro. Aripiprazole binds to D2 receptors with high affinity (Ki ≈ 0.5-1 nM) and exhibits partial agonist activity in functional assays, with an intrinsic activity of approximately 30-50% compared to dopamine. At 5-HT1A receptors, aripiprazole is a potent partial agonist (Ki ≈ 4 nM), and at 5-HT2A receptors, it is an antagonist (Ki ≈ 8 nM). Aripiprazole also binds to D3, D4, 5-HT2C, 5-HT7, alpha-1 adrenergic, and histamine H1 receptors with moderate to low affinity. Aripiprazole D8 exhibits identical chromatographic and mass spectrometric behavior to aripiprazole but can be distinguished by mass due to the 8 Da mass shift, making it an ideal internal standard for analytical methods.
|
| ln Vivo |
In vivo studies on Aripiprazole D8 are not typically performed, as the compound is used as an analytical standard rather than as a therapeutic agent. However, the pharmacokinetics and pharmacodynamics of the parent compound aripiprazole have been extensively studied in humans and animals. Aripiprazole effectively reduces psychotic symptoms in patients with schizophrenia, stabilizes mood in patients with bipolar disorder, and is effective as an adjunctive treatment for major depressive disorder. The compound is well-tolerated and has a favorable safety profile, with a lower risk of extrapyramidal side effects and metabolic disturbances compared to other antipsychotics. Aripiprazole D8 can be used in pharmacokinetic studies to quantify aripiprazole levels in plasma, tissues, and other biological matrices, enabling the accurate assessment of drug exposure and the evaluation of drug-drug interactions.
|
| Enzyme Assay |
For in vitro analytical applications, Aripiprazole D8 is used as an internal standard for the quantification of aripiprazole in biological samples by LC-MS or GC-MS. A typical protocol involves the addition of a known amount of Aripiprazole D8 to the sample (plasma, urine, tissue homogenate) prior to sample preparation. The sample is then extracted using liquid-liquid extraction (LLE) or solid-phase extraction (SPE), and the extract is analyzed by LC-MS/MS using a reversed-phase column and a mobile phase consisting of acetonitrile and water with formic acid or ammonium acetate. The mass spectrometer is operated in positive ion mode, and the transition for aripiprazole (m/z 448.2 → 285.1) and for Aripiprazole D8 (m/z 456.2 → 293.1) is monitored. The concentration of aripiprazole in the sample is calculated from the peak area ratio of aripiprazole to Aripiprazole D8 using a calibration curve prepared with known concentrations of aripiprazole and a fixed concentration of Aripiprazole D8. The method is validated for linearity, accuracy, precision, and recovery according to regulatory guidelines.
|
| Cell Assay |
For in vitro cell-based assays, Aripiprazole D8 is not typically used, as its primary application is as an analytical standard. However, if used, it would be expected to exhibit the same biological activity as aripiprazole. Cells expressing D2 receptors or 5-HT1A receptors are seeded in 6- or 12-well plates and treated with aripiprazole or Aripiprazole D8 at concentrations of 0.01-10 µM for 30 minutes to 24 hours. Receptor activation is assessed by measuring cAMP accumulation, calcium mobilization, or reporter gene activation. Cell viability is assessed using MTT assays to ensure that the observed effects are not due to cytotoxicity. All experiments include appropriate positive and negative controls, and results are expressed as mean ± standard deviation from at least three independent experiments.
|
| Animal Protocol |
For in vivo animal experiments, Aripiprazole D8 is not typically administered to animals as a therapeutic agent. However, the compound can be used in pharmacokinetic studies to measure aripiprazole levels in animal models. In a typical study, animals (e.g., rats, mice, dogs) are administered aripiprazole orally at doses of 0.1-10 mg/kg. Blood samples are collected at various time points (0, 0.5, 1, 2, 4, 6, 8, 12, 24 hours), and plasma is separated by centrifugation. Aripiprazole D8 is added to the plasma samples as an internal standard, and the samples are extracted and analyzed by LC-MS/MS. Pharmacokinetic parameters, including Cmax, Tmax, AUC, t½, and oral bioavailability, are calculated using non-compartmental analysis. For tissue distribution studies, animals are euthanized at various time points, and tissues (liver, kidney, heart, brain) are collected, homogenized, and analyzed for aripiprazole content using Aripiprazole D8 as an internal standard. All animal procedures are conducted in accordance with institutional guidelines for the care and use of laboratory animals.
|
| ADME/Pharmacokinetics |
Aripiprazole D8 is intended for use as an internal standard and is not used as a therapeutic agent. The compound has a molecular weight of 456.43 g/mol and a molecular formula of C₂₃H₁₉D₈Cl₂N₃O₂. It is stable when stored as a powder at -20°C or 4°C, protected from light and moisture. The compound is soluble in DMSO, methanol, and other organic solvents. Aripiprazole D8 is available from various research chemical suppliers with high isotopic purity (>98%) and chemical purity (>95%).
|
| Additional Infomation |
Aripiprazole D8 is a research-use only compound and has not been approved for clinical applications as a deuterated drug. It is also known as OPC-14597 D8. The compound has a molecular formula of C₂₃H₁₉D₈Cl₂N₃O₂ and a molecular weight of 456.43 g/mol. Aripiprazole D8 is the deuterium-labeled version of aripiprazole, a selective dopamine D2 receptor antagonist with partial agonist activity at dopamine autoreceptors and a partial agonist at serotonin 5-HT1A receptors (Ki: 4.2 nM). The compound is intended for use as an internal standard for the quantification of aripiprazole by GC- or LC-MS in pharmacokinetic and bioanalytical studies. Aripiprazole D8 is available from various research chemical suppliers and is used in analytical chemistry, pharmaceutical research, and clinical pharmacology. Storage recommendations include keeping the compound in a tightly sealed container, protected from light and moisture, at -20°C or 4°C.
|
| Molecular Formula |
C₂₃H₁₉D₈CL₂N₃O₂
|
|---|---|
| Molecular Weight |
456.43
|
| Exact Mass |
455.198
|
| CAS # |
1089115-06-9
|
| Related CAS # |
Aripiprazole; 129722-12-9; Aripiprazole monohydrate; 851220-85-4
|
| PubChem CID |
25145107
|
| Appearance |
White to off-white solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
646.2±55.0 °C at 760 mmHg
|
| Flash Point |
344.6±31.5 °C
|
| Vapour Pressure |
0.0±1.9 mmHg at 25°C
|
| Index of Refraction |
1.593
|
| LogP |
5.59
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
30
|
| Complexity |
559
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1(C(N(C(C(N1CCCCOC2=CC3=C(CCC(=O)N3)C=C2)([2H])[2H])([2H])[2H])C4=C(C(=CC=C4)Cl)Cl)([2H])[2H])[2H]
|
| InChi Key |
CEUORZQYGODEFX-FUEQIQQISA-N
|
| InChi Code |
InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i11D2,12D2,13D2,14D2
|
| Chemical Name |
7-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
|
| Synonyms |
OPC-14597D8; OPC14597D8; OPC 14597D8; Aripiprazole-d8
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 2.1909 mL | 10.9546 mL | 21.9092 mL | |
| 5 mM | 0.4382 mL | 2.1909 mL | 4.3818 mL | |
| 10 mM | 0.2191 mL | 1.0955 mL | 2.1909 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
