| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
5-Cyanoindole itself does not have a specific biological target, but its derivatives have been identified as highly selective dopamine D4 receptor partial agonists. Dopamine D4 receptors are involved in various neurological and psychiatric disorders. The compound is also used as an intermediate for vilazodone hydrochloride, which targets serotonin transporters and 5-HT1A receptors for the treatment of depression. Kinase inhibitors and anticancer agents may also be synthesized from this intermediate.
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|---|---|
| ln Vitro |
In vitro, 5-cyanoindole derivatives have been identified as highly selective dopamine D4 receptor partial agonists. The compound is used as a building block for synthesizing vilazodone hydrochloride, an antidepressant, and other therapeutic compounds. The parent compound is not directly assayed for biological activity but serves as a key intermediate for drug discovery.
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| ln Vivo |
In vivo data for 5-cyanoindole itself are limited as it is a chemical intermediate. Drug candidates synthesized from this compound, such as vilazodone hydrochloride, are evaluated in animal models for antidepressant efficacy and other indications. The compound itself is not administered to animals as a test compound.
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| Enzyme Assay |
5-Cyanoindole is not typically used in cell-free enzyme/receptor binding assays. Its role is as a synthetic intermediate. For compounds synthesized using this reagent, typical binding assays may be performed. These involve incubating the test compound with purified receptors (e.g., dopamine D4 receptor, serotonin transporter) in buffered solutions, with binding affinity measured by radioligand displacement or SPR.
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| Cell Assay |
Cell-based assays are not directly performed on 5-cyanoindole due to its lack of biological activity. However, drug candidates synthesized from this intermediate may be tested in cellular systems. For dopamine D4 receptor agonists, cells expressing the receptor are treated with the synthesized compound, and receptor activation is assessed by cAMP or calcium signaling assays. For antidepressants, serotonin transporter inhibition is evaluated in cellular uptake assays.
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| Animal Protocol |
In vivo animal studies are not conducted with 5-cyanoindole itself, as it is a chemical reagent. Drug candidates synthesized from this intermediate, such as vilazodone hydrochloride, are evaluated in animal models for efficacy, pharmacokinetics, and toxicity. For antidepressants, models of depression (e.g., forced swim test, tail suspension test) are used. All procedures follow institutional animal care guidelines.
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| ADME/Pharmacokinetics |
5-Cyanoindole is a synthetic chemical intermediate and is not subject to pharmacokinetic evaluation as a drug. Its physicochemical properties include a molecular weight of approximately 142 g/mol and a molecular formula of C9H6N2. The compound is stable under normal storage conditions and is available in high purity for research use. The cyano group enhances its reactivity for further functionalization.
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| Toxicity/Toxicokinetics |
The toxicological profile of 5-cyanoindole has not been extensively characterized. As a nitrile and indole compound, it may cause skin, eye, and respiratory tract irritation. Standard laboratory safety precautions should be observed, including the use of personal protective equipment (gloves, goggles, lab coat) and adequate ventilation. Ingestion or inhalation should be avoided.
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| Additional Infomation |
5-Cyanoindole is not a drug but a valuable chemical intermediate for pharmaceutical synthesis. It is used as an intermediate in the synthesis of vilazodone hydrochloride, an antidepressant. 5-Cyanoindole derivatives have been identified as highly selective dopamine D4 receptor partial agonists. It is also used in the development of kinase inhibitors, anticancer agents, and other therapeutic compounds. It is not approved for clinical use.
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| Molecular Formula |
C9H6N2
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|---|---|
| Molecular Weight |
142.16
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| Exact Mass |
142.053
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| CAS # |
15861-24-2
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| Related CAS # |
91201-84-2
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| PubChem CID |
27513
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| Appearance |
Light yellow to brown solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
350.0±15.0 °C at 760 mmHg
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| Melting Point |
106-108 °C(lit.)
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| Flash Point |
121.9±5.6 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.675
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| LogP |
2.36
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
11
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| Complexity |
191
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1([H])C([H])=C([H])C2C([H])=C(C#N)C([H])=C([H])C1=2
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| InChi Key |
YHYLDEVWYOFIJK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H
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| Chemical Name |
1H-indole-5-carbonitrile
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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 | 7.0343 mL | 35.1716 mL | 70.3433 mL | |
| 5 mM | 1.4069 mL | 7.0343 mL | 14.0687 mL | |
| 10 mM | 0.7034 mL | 3.5172 mL | 7.0343 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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