| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
Octoclothepin maleate salt targets dopamine D2 receptors and serotonin 5-HT2 (5-HT2A) receptors. It functions as an antagonist at both receptor types. The compound's antipsychotic activity is attributed to its dual antagonism at D2 and 5-HT2 receptors, a mechanism shared by many atypical antipsychotics. D2 receptor antagonism reduces dopaminergic activity in the mesolimbic pathway, while 5-HT2 antagonism modulates serotonergic signaling and may reduce extrapyramidal side effects.
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| ln Vitro |
In vitro, octoclothepin maleate salt has been characterized for its receptor binding affinity at D2 dopamine receptors and 5-HT2 serotonin receptors. The compound's binding properties have been evaluated using radioligand binding assays. It exhibits antagonist activity at both receptor types. The compound's in vitro profile is consistent with its classification as a dual D2/5-HT2 antagonist with antipsychotic properties. Detailed IC50 or Ki values are not provided in the available literature.
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| ln Vivo |
Octoclothepin has a high degree of cataleptic and anti-apomorphine activity in rats; at a subcutaneous dose of 0.1 mg/kg, it completely protected dogs from apomorphine-induced emesis[1]. Octoclothepin significantly reduced DA levels and increased HVA and DOPAC levels at subcutaneous doses of 0.5 and 1.5 mg/kg[1].
In vivo, octoclothepin maleate salt exhibits antipsychotic activity due to its dual antagonism at D2 and 5-HT2 receptors. The compound's effects on dopaminergic and serotonergic signaling pathways have been studied in animal models of psychosis. Its antipsychotic profile is established based on behavioral and pharmacological studies. The compound's in vivo effects are consistent with its receptor binding profile and its classification as a tricyclic antipsychotic. |
| Enzyme Assay |
In vitro receptor binding assays for octoclothepin maleate salt typically involve radioligand displacement studies using membrane preparations from cells expressing human D2 or 5-HT2 receptors. [3H]-spiperone or [3H]-SCH 23390 may be used as radioligands for dopamine receptors. [3H]-ketanserin is commonly used for 5-HT2 receptor binding. Membranes are incubated with the radioligand and varying concentrations of octoclothepin, and bound radioactivity is measured by scintillation counting. Ki values are calculated from IC50 values using the Cheng-Prusoff equation.
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| Cell Assay |
In vitro cellular assays for octoclothepin maleate salt involve functional assays to determine antagonist activity at D2 and 5-HT2 receptors. Cells expressing the receptors are treated with octoclothepin in the presence of appropriate agonists. Calcium mobilization assays (for 5-HT2) or cAMP inhibition assays (for D2) are used to measure receptor activation. The compound's antagonist activity is assessed by its ability to inhibit agonist-induced responses. Cytotoxicity is evaluated using standard cell viability assays.
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| Animal Protocol |
In vivo animal studies for octoclothepin maleate salt typically involve administration to rodent models to evaluate antipsychotic activity. Behavioral assays such as conditioned avoidance response, PCP-induced hyperactivity, or amphetamine-induced stereotypy are used to assess antipsychotic efficacy. Catalepsy tests assess extrapyramidal side effect potential. Doses and routes of administration vary depending on the study. The compound's effects on dopaminergic and serotonergic systems are evaluated through pharmacological and biochemical analyses.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for octoclothepin maleate salt are not well documented in the available literature. As a tricyclic antipsychotic, the compound is likely to be lipophilic and well absorbed following oral administration. It would be expected to undergo hepatic metabolism via cytochrome P450 enzymes and have a half-life suitable for once or twice daily dosing. However, specific pharmacokinetic parameters such as bioavailability, half-life, and metabolism have not been reported.
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| Toxicity/Toxicokinetics |
Toxicological data for octoclothepin maleate salt are limited. As an antipsychotic compound, it may share the side effect profile of other D2/5-HT2 antagonists, including extrapyramidal symptoms, sedation, weight gain, and metabolic effects. The compound is labeled with GHS06 signal word "Danger", indicating acute toxicity. Specific toxicological data, including LD50 values and organ-specific toxicity, are not provided in the available literature. The compound is intended for research use only.
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| References | |
| Additional Infomation |
Octoclothepin maleate salt is a research compound with an established antipsychotic profile. It functions as a dual antagonist at D2 dopamine receptors and 5-HT2 serotonin receptors. The compound is a tricyclic dibenzothiepin derivative. It is also known as clorotepine maleate. Octoclothepin maleate salt is used in pharmacological research to study dopaminergic and serotonergic signaling and to evaluate antipsychotic mechanisms. It is not approved for clinical use and is intended for research purposes only.
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| Molecular Formula |
C23H25CLN2O4S
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|---|---|
| Molecular Weight |
460.97
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| Exact Mass |
460.122
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| CAS # |
4789-68-8
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| Related CAS # |
13448-22-1 (Parent);110-16-7 (Parent)
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| PubChem CID |
11957654
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.923
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
31
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| Complexity |
518
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O
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| InChi Key |
GWKBZIADWSOIQV-BTJKTKAUSA-N
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| InChi Code |
InChI=1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
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| Chemical Name |
(Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
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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) |
Typically soluble in DMSO (e.g. 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 | 2.1693 mL | 10.8467 mL | 21.6934 mL | |
| 5 mM | 0.4339 mL | 2.1693 mL | 4.3387 mL | |
| 10 mM | 0.2169 mL | 1.0847 mL | 2.1693 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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