| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Coumaran targets acetylcholinesterase (AChE), an enzyme that breaks down the neurotransmitter acetylcholine in the synaptic cleft. By inhibiting AChE, coumaran increases the concentration of acetylcholine, leading to prolonged cholinergic signaling. This mechanism is the basis for its potential insecticidal and antiparasitic activities.
|
|---|---|
| ln Vitro |
In vitro, coumaran is an AChE inhibitor. It exhibits notable antileishmanial activity and is active against promastigotes (IC50 = 1.042 μM). It may acquire antiparasitic capabilities through activation of macrophages and exert immunomodulatory activity.
|
| ln Vivo |
In vivo, coumaran can be used as a biopesticide. Its AChE inhibitory activity and antileishmanial effects suggest potential for treating parasitic infections. Its immunomodulatory activity may also have therapeutic implications. Further in vivo studies are needed to confirm its efficacy.
|
| Enzyme Assay |
Non-cellular assays for coumaran involve measuring its inhibition of acetylcholinesterase (AChE) activity. These assays typically use the Ellman's method, where the enzyme is incubated with a substrate (acetylthiocholine) and the compound. The production of thiocholine is measured spectrophotometrically, and the IC50 is determined.
|
| Cell Assay |
In vitro cellular assays for coumaran are conducted to study its antileishmanial activity. Leishmania promastigotes are cultured and treated with the compound, and parasite viability is assessed. Its effects on macrophages can be studied by measuring cytokine production and activation markers to assess its immunomodulatory activity.
|
| Animal Protocol |
In vivo animal experiments with coumaran could be conducted in models of leishmaniasis. Infected animals would be treated with the compound, and parasite load and immune responses would be assessed. Its use as a biopesticide would be evaluated in agricultural or insect models.
|
| ADME/Pharmacokinetics |
Coumaran has a molecular weight of 120.15. It is a liquid at room temperature and is soluble in organic solvents. Its pharmacokinetic properties are not well-characterized. The compound is typically stored at room temperature.
|
| Toxicity/Toxicokinetics |
Coumaran is considered to have low toxicity based on its use as a research compound and its natural occurrence. However, comprehensive toxicological data are not extensively published. The compound is intended for research use only and is not approved for human therapeutic use.
|
| References |
|
| Additional Infomation |
2,3-Dihydrobenzofuran belongs to the 1-benzofuran class of compounds and is a 2,3-dihydro derivative of benzofuran. It is a metabolite. It has been reported to exist in fenugreek, anthracite, and other organisms with relevant data.
Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor and a natural product. It exhibits antileishmanial activity (IC50 = 1.042 μM) and immunomodulatory activity. It can be used as a biopesticide and is a valuable tool for studying cholinergic signaling and parasitic diseases. |
| Molecular Formula |
C8H8O
|
|---|---|
| Molecular Weight |
120.1485
|
| Exact Mass |
120.057
|
| CAS # |
496-16-2
|
| PubChem CID |
10329
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
188.2±10.0 °C at 760 mmHg
|
| Melting Point |
-21°C
|
| Flash Point |
66.7±0.0 °C
|
| Vapour Pressure |
0.8±0.3 mmHg at 25°C
|
| Index of Refraction |
1.560
|
| LogP |
2.14
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
9
|
| Complexity |
101
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C1([H])[H]
|
| InChi Key |
HBEDSQVIWPRPAY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
|
| Chemical Name |
2,3-dihydro-1-benzofuran
|
| 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) |
H2O : ~150 mg/mL (~1248.44 mM)
DMSO : ~150 mg/mL (~1248.44 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.75 mg/mL (31.21 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 37.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 3.75 mg/mL (31.21 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 37.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 3.75 mg/mL (31.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 100 mg/mL (832.29 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.3229 mL | 41.6146 mL | 83.2293 mL | |
| 5 mM | 1.6646 mL | 8.3229 mL | 16.6459 mL | |
| 10 mM | 0.8323 mL | 4.1615 mL | 8.3229 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
