| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
Roxindole's primary targets are dopamine D2-like receptors (D2, D3, D4) and serotonin receptors (5-HT1A). It is a potent agonist at dopamine autoreceptors, with affinity for the D2-like subtype in the low nanomolar range. It has a Ki of 0.88 nM for the rat dopamine D2 receptor and a Ki of 0.4 nM for the human D3 receptor. For the human D2 receptor, it has an EC50 of 0.37 nM. Roxindole also acts as a 5-HT1A agonist and a 5-HT uptake inhibitor, with an IC50 of 0.8 nM for the rat serotonin 1a (5-HT1a) receptor.
|
|---|---|
| ln Vitro |
In vitro, Roxindole is a potent agonist at dopamine autoreceptors, with affinity for the D2-like subtype in the low nanomolar range. It displays a distinct and robust affinity for presynaptic D-2 dopamine autoreceptors. It also inhibits serotonin (5-HT) uptake. Its activity at D2 and possibly D3 receptors is characterized as a partial agonist with preferential actions at autoreceptors.
|
| ln Vivo |
Roxindole reduces conditioned avoidance responses in rats (ED50=1.5 mg/kg sc) and apomorphine-induced climbing in mice (ED50=1.4 mg/kg sc and 0.65 mg/kg sc, respectively)[ 1]. The effects of 8-OH-DPAT (flat body and forepaw stepping) in normal rats (male Wistar 200-350g) are inhibited by roxindole (EMD 49980) (1, 3, 10 mg/kg; subcutaneous injection) [3].
In vivo, Roxindole has been studied for its potential antipsychotic and antidepressant activities. It was originally developed for the treatment of schizophrenic syndromes. Its ability to act as a dopamine autoreceptor agonist would be expected to reduce dopaminergic neurotransmission, which is relevant to the treatment of schizophrenia. Its 5-HT1A agonist and serotonin reuptake inhibitor properties may contribute to its antidepressant effects. |
| Enzyme Assay |
The in vitro activity of Roxindole is assessed using radioligand binding assays and functional assays. In radioligand binding assays, membrane preparations from cells or tissues expressing the target receptors (e.g., D2, D3, 5-HT1A) are incubated with a radiolabeled ligand (e.g., [3H]spiperone for D2-like receptors, [3H]8-OH-DPAT for 5-HT1A receptors) in the presence of varying concentrations of Roxindole. The displacement of the radiolabeled ligand is measured to calculate the inhibition constant (Ki). For functional assays, the ability of Roxindole to activate or inhibit receptor-mediated signaling pathways is measured. For example, the inhibition of forskolin-stimulated cAMP accumulation via D2-like receptors or the stimulation of [35S]GTPγS binding can be measured.
|
| Cell Assay |
For cellular assays, cell lines expressing the human D2, D3, or 5-HT1A receptors are used. Cells are cultured in appropriate media (e.g., DMEM with 10% fetal bovine serum) and treated with various concentrations of Roxindole (typically ranging from 0.1 nM to 10 µM) for different time periods. The activation of signaling pathways is assessed by measuring changes in second messenger levels (e.g., cAMP) or by using reporter gene assays. The inhibition of serotonin uptake can be assessed using cells expressing the serotonin transporter (SERT) and measuring the uptake of radiolabeled serotonin.
|
| Animal Protocol |
In vivo studies with Roxindole would be performed in animal models of psychiatric disorders. For antipsychotic activity, the compound would be administered to rodents (e.g., via intraperitoneal or oral administration) and its effects on behaviors such as locomotor activity, prepulse inhibition, and conditioned avoidance response would be assessed. For antidepressant activity, the forced swim test or tail suspension test would be used. The compound would be administered at various doses (e.g., 0.1-10 mg/kg) and the behavioral responses measured.
|
| ADME/Pharmacokinetics |
Specific pharmacokinetic data for Roxindole is not detailed in the provided search results. It is soluble in DMSO at 50 mM with gentle warming. As a small molecule with a molecular weight of 382.93 g/mol (hydrochloride salt), it is expected to be able to cross the blood-brain barrier, which is necessary for its central nervous system activity.
|
| Toxicity/Toxicokinetics |
Specific toxicity data for Roxindole is not available in the provided search results. As a compound that affects dopaminergic and serotonergic neurotransmission, it may have side effects related to these systems, such as extrapyramidal symptoms, sedation, or gastrointestinal disturbances. Comprehensive toxicological studies would be required to establish its full safety profile.
|
| References |
|
| Additional Infomation |
Roxindole belongs to the indole class of compounds. It is an alpha-adrenergic antagonist and a serotonergic drug.
Roxindole is a research compound with a unique multi-target pharmacological profile. It acts as a dopamine autoreceptor agonist, a 5-HT1A agonist, and a serotonin reuptake inhibitor. This combination of activities makes it a valuable tool for studying the interplay between dopaminergic and serotonergic systems in psychiatric disorders. It was originally developed for the treatment of schizophrenia but does not appear to have been approved for clinical use. |
| Molecular Formula |
C23H26N2O.HCL
|
|---|---|
| Molecular Weight |
382.92628
|
| Exact Mass |
346.205
|
| CAS # |
112192-04-8
|
| Related CAS # |
Roxindole hydrochloride;108050-82-4
|
| PubChem CID |
219050
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.173g/cm3
|
| Boiling Point |
575.7ºC at 760mmHg
|
| Flash Point |
302ºC
|
| Vapour Pressure |
7.46E-14mmHg at 25°C
|
| Index of Refraction |
1.651
|
| LogP |
4.923
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
26
|
| Complexity |
471
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
Cl.C1(C2CCN(CCCCC3C4C(=CC=C(O)C=4)NC=3)CC=2)C=CC=CC=1
|
| InChi Key |
HGEYJZMMUGWEOT-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
|
| Chemical Name |
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
|
| 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 | 2.6114 mL | 13.0572 mL | 26.1144 mL | |
| 5 mM | 0.5223 mL | 2.6114 mL | 5.2229 mL | |
| 10 mM | 0.2611 mL | 1.3057 mL | 2.6114 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
