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| Targets |
The primary targets of desmethyl cariprazine are dopamine D2 and D3 receptors, as well as the serotonin 5-HT1A receptor. Desmethyl cariprazine exhibits high affinity for the D3 receptor (Ki = 0.085 nM) and D2 receptor (Ki = 0.49 nM), with moderate affinity for the 5-HT1A receptor (Ki = 2.6 nM). D2 and D3 receptors are dopamine receptors that are involved in the regulation of mood, cognition, and reward, and are key targets for antipsychotic drugs. The 5-HT1A receptor is a serotonin receptor that is involved in the regulation of mood and anxiety. By modulating these receptors, desmethyl cariprazine contributes to the antipsychotic and antidepressant effects of cariprazine. The compound's high affinity for D3 receptors is a distinguishing feature of cariprazine and its metabolites.
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| ln Vitro |
In vitro, desmethyl cariprazine demonstrates high affinity for dopamine D3 (Ki = 0.085 nM) and D2 (Ki = 0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (Ki = 2.6 nM). These affinities are similar to those of the parent compound cariprazine. The compound's activity is typically characterized using radioligand binding assays to determine its affinity for various dopamine and serotonin receptor subtypes. Functional assays such as GTPγS binding or cAMP accumulation can be used to assess its agonist or antagonist activity at these receptors. Desmethyl cariprazine's receptor binding profile contributes to the overall pharmacological effects of cariprazine, including its antipsychotic and antidepressant activities.
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| ln Vivo |
In vivo, desmethyl cariprazine is an active metabolite of cariprazine that contributes to the therapeutic efficacy of the parent drug. Cariprazine is used for the treatment of schizophrenia, bipolar mania, and depression. Desmethyl cariprazine, along with other metabolites, modulates dopaminergic and serotonergic signaling in the central nervous system, contributing to the antipsychotic and mood-stabilizing effects of cariprazine therapy. The compound's high affinity for D3 receptors is thought to be particularly important for its therapeutic effects. Its in vivo activity has been characterized in preclinical and clinical studies of cariprazine.
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| Enzyme Assay |
In vitro receptor binding assays for desmethyl cariprazine measure its affinity for dopamine D2, D3, and serotonin 5-HT1A receptors. Radioligand binding studies are performed using membrane preparations from cells expressing recombinant receptors and radiolabeled selective ligands. For D2 and D3 receptors, [³H]-raclopride or [³H]-spiperone are commonly used as tracers. For 5-HT1A receptors, [³H]-8-OH-DPAT is used as a tracer. Competition binding experiments with varying concentrations of desmethyl cariprazine determine its binding affinity (Ki) for each receptor subtype. These assays are essential for characterizing the compound's selectivity and potency at different receptor subtypes.
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| Cell Assay |
In vitro cell-based functional assays for desmethyl cariprazine evaluate its agonist or antagonist activity at dopamine and serotonin receptors. Cells expressing recombinant receptors (D2, D3, 5-HT1A) are treated with varying concentrations of the compound. For D2 and D3 receptors, which are coupled to Gi/o proteins, agonist activity is assessed by measuring inhibition of forskolin-stimulated cAMP accumulation, while antagonist activity is assessed by measuring reversal of agonist-induced inhibition. For 5-HT1A receptors, similar cAMP assays can be used. Alternatively, GTPγS binding assays can be used to measure receptor activation. These assays confirm the compound's functional activity at its target receptors.
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| Animal Protocol |
In vivo animal studies for desmethyl cariprazine are typically conducted in the context of cariprazine pharmacology. Cariprazine has been studied in animal models of schizophrenia, bipolar disorder, and depression. In these studies, cariprazine is administered to animals, and behavioral, neurochemical, and physiological parameters are assessed. The contribution of desmethyl cariprazine to the overall effects of cariprazine can be inferred from pharmacokinetic and pharmacodynamic studies. These studies have demonstrated the antipsychotic and antidepressant efficacy of cariprazine and its active metabolites.
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| ADME/Pharmacokinetics |
Desmethyl cariprazine has a molecular weight of approximately 383.53 g/mol. As an active metabolite of cariprazine, its pharmacokinetic properties are similar to those of the parent compound. Cariprazine is administered orally and is well-absorbed, with desmethyl cariprazine being formed through metabolism. The compound is distributed to various tissues, including the central nervous system, and is metabolized and excreted. Detailed pharmacokinetic parameters for desmethyl cariprazine specifically are established in the clinical pharmacology literature for cariprazine.
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| Toxicity/Toxicokinetics |
Desmethyl cariprazine has a safety profile similar to that of cariprazine. Common side effects of cariprazine include akathisia, extrapyramidal symptoms, sedation, and gastrointestinal effects. As an active metabolite, desmethyl cariprazine contributes to the overall safety profile of the parent drug. The compound should be used with caution in patients with a history of seizures, cardiovascular disease, or other medical conditions. It is classified as a pregnancy category C drug. Desmethyl cariprazine is a research-grade compound and is not intended for human use as a standalone therapeutic.
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| References |
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| Additional Infomation |
Desmethyl cariprazine (CAS# 839712-15-1) is an active metabolite of the antipsychotic drug cariprazine. It exhibits high affinity for D3 (Ki = 0.085 nM) and D2 (Ki = 0.49 nM) receptors, and moderate affinity for 5-HT1A (Ki = 2.6 nM) receptors. The compound contributes to the therapeutic efficacy of cariprazine in schizophrenia, bipolar disorder, and depression. It is a research-grade compound intended for laboratory use and has not received FDA approval as a standalone therapeutic.
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| Molecular Formula |
C20H30CL2N4O
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| Molecular Weight |
413.384402751923
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| Exact Mass |
412.179
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| CAS # |
839712-15-1
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| PubChem CID |
11338928
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| Appearance |
White to off-white solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
465
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C(Cl)=CC=CC=1N1CCN(CC[C@@H]2CC[C@@H](NC(=O)NC)CC2)CC1
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| InChi Key |
WMQLLTKSISGWHQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H30Cl2N4O/c1-23-20(27)24-16-7-5-15(6-8-16)9-10-25-11-13-26(14-12-25)18-4-2-3-17(21)19(18)22/h2-4,15-16H,5-14H2,1H3,(H2,23,24,27)
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| Chemical Name |
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-3-methylurea
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| Synonyms |
UNII-286RCD7025 Dcar Desmethyl cariprazine
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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) |
DMSO : ~5 mg/mL (~12.10 mM)
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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 | 2.4191 mL | 12.0954 mL | 24.1908 mL | |
| 5 mM | 0.4838 mL | 2.4191 mL | 4.8382 mL | |
| 10 mM | 0.2419 mL | 1.2095 mL | 2.4191 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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