| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Ethyl indole-2-carboxylate is an indole derivative that inhibits the benzodiazepine receptor with an IC₅₀ of 2.2 mM. It has been used as a reactant for the preparation of various biologically active compounds, including CRTH2 receptor antagonists, indoleamine 2,3-dioxygenase (IDO) inhibitors, cannabinoid CB1 receptor antagonists, and inhibitors of human reticulocyte 15-lipoxygenase-1.
|
|---|---|
| ln Vitro |
One indole derivative is ethyl indole-2-carboxylate. With an IC50 of 2.2 mM, ethyl indole-2-carboxylate inhibits bezodiazepine receptors.
In vitro studies have shown that Ethyl indole-2-carboxylate inhibits the benzodiazepine receptor with an IC₅₀ of 2.2 mM. This activity makes it a useful tool for studying benzodiazepine receptor pharmacology. The compound is also used as a reactant for the preparation of pyridazinoindole derivatives that have antimicrobial activities. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for Ethyl indole-2-carboxylate as a therapeutic agent. The compound is used as a biochemical reagent and building block. It is not administered to animals for pharmacological evaluation. Its applications are limited to in vitro biochemical research and organic synthesis.
|
| Enzyme Assay |
For non-cellular assays, Ethyl indole-2-carboxylate is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. The compound can be evaluated as a ligand in receptor binding assays. Typical protocols involve incubating the compound with receptor preparations and measuring binding affinity. Purity is typically ≥97%. Storage: room temperature in a cool and dark place.
|
| Cell Assay |
For in vitro cell-based studies, Ethyl indole-2-carboxylate can be used to assess effects on benzodiazepine receptors. Cells expressing the receptor are cultured under standard conditions and treated with the compound to evaluate receptor binding and functional activity. The compound is typically dissolved in DMSO and diluted in cell culture medium. Appropriate controls should be included in the experimental design.
|
| Animal Protocol |
For in vivo animal studies, Ethyl indole-2-carboxylate is not typically administered as a test compound. It is used as a biochemical reagent and building block. If used in animal studies for specific research purposes, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed.
|
| ADME/Pharmacokinetics |
Ethyl indole-2-carboxylate has a molecular weight of 189.21 and molecular formula C₁₁H₁₁NO₂. Purity: typically ≥97%. Storage: room temperature in a cool and dark place. The compound is a solid at room temperature. Solubility: soluble in common organic solvents. The compound is stable under recommended storage conditions.
|
| Toxicity/Toxicokinetics |
Ethyl indole-2-carboxylate is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
|
| Additional Infomation |
Ethyl indole-2-carboxylate (CAS 3770-50-1) is also known as 2-carbethoxyindole and 2-ethoxycarbonylindole. It is an indole derivative that inhibits the benzodiazepine receptor with an IC₅₀ of 2.2 mM. It has been used as a reactant for the preparation of CRTH2 receptor antagonists, IDO inhibitors, and CB1 receptor antagonists. No clinical trials or therapeutic approvals exist.
|
| Molecular Formula |
C11H11NO2
|
|---|---|
| Molecular Weight |
189.21
|
| Exact Mass |
189.078
|
| CAS # |
3770-50-1
|
| PubChem CID |
73125
|
| Appearance |
Solid Powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
342.4±15.0 °C at 760 mmHg
|
| Melting Point |
119-124 ºC
|
| Flash Point |
160.9±20.4 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.621
|
| LogP |
3.1
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
14
|
| Complexity |
217
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])C([H])([H])[H])C(C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2N1[H])=O
|
| InChi Key |
QQXQAEWRSVZPJM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3
|
| Chemical Name |
ethyl 1H-indole-2-carboxylate
|
| 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 | 5.2851 mL | 26.4257 mL | 52.8513 mL | |
| 5 mM | 1.0570 mL | 5.2851 mL | 10.5703 mL | |
| 10 mM | 0.5285 mL | 2.6426 mL | 5.2851 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
