| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
Obtucarbamate A targets neuroinflammation pathways, showing significant inhibitory effects. Its primary target is nitric oxide (NO) synthase, suggesting that it exerts its anti-inflammatory effects by modulating the production of nitric oxide, a key inflammatory mediator. This makes it a compound of interest for studying conditions associated with neuroinflammation. It is also associated with the Immunology/Inflammation class of compounds.
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| ln Vitro |
In vitro, Obtucarbamate A exhibits significant inhibitory effects against neuroinflammation, with an IC₅₀ value of 10.57 µM. This activity is likely mediated through its inhibition of NO synthase, reducing the production of nitric oxide. It also has antitussive activity. Its anti-inflammatory, antioxidant, antimicrobial, and potential anticancer activities have been reported.
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| ln Vivo |
In vivo, the therapeutic potential of Obtucarbamate A is being explored, particularly for its anti-inflammatory and antitussive properties. Its ability to inhibit neuroinflammation suggests potential applications in neurodegenerative diseases and other conditions associated with central nervous system inflammation. However, specific in vivo efficacy data are not detailed in the provided search results.
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| Enzyme Assay |
In vitro non-cell enzyme assays for Obtucarbamate A likely involve measuring its inhibition of nitric oxide (NO) production. This can be done using a cell-free system where the enzyme nitric oxide synthase (NOS) is incubated with the compound and its substrate, L-arginine. The amount of NO produced is then measured using a colorimetric assay (e.g., Griess reaction). The IC₅₀ value (10.57 µM) is determined from dose-response curves.
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| Cell Assay |
In vitro cell-based assays for Obtucarbamate A use immune cells, such as microglia or macrophages, stimulated with lipopolysaccharide (LPS) to induce an inflammatory response. Cells are treated with the compound, and the production of nitric oxide (NO) and other inflammatory cytokines (e.g., TNF-α, IL-6) is measured. The compound's ability to reduce these inflammatory markers, as demonstrated by its IC₅₀ of 10.57 µM, is used to quantify its anti-neuroinflammatory activity.
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| Animal Protocol |
In vivo animal studies for Obtucarbamate A would likely employ models of neuroinflammation, such as LPS-induced neuroinflammation in rodents, or models of cough to evaluate its antitussive activity. The compound would be administered, and parameters such as inflammatory cytokine levels in the brain, behavioral changes, and cough frequency would be assessed to evaluate its efficacy.
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| ADME/Pharmacokinetics |
Obtucarbamate A has a molecular weight of 238.24 g/mol and a molecular formula of C₁₁H₁₄N₂O₄. It is a powder that is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, and Acetone. It should be stored desiccated at -20°C. Detailed pharmacokinetic parameters, such as absorption, distribution, metabolism, and excretion (ADME), are not widely published.
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| Toxicity/Toxicokinetics |
The toxicity profile of Obtucarbamate A is not extensively detailed in the provided search results. As a bioactive natural product, it is considered to have a manageable safety profile for research use, but comprehensive toxicological studies are likely required for therapeutic development. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
Obtucarbamate A is a bioactive compound isolated from Disporum cantoniense with significant anti-neuroinflammatory activity (IC₅₀ = 10.57 µM) and antitussive properties. It is a promising lead candidate for drug discovery, particularly for inflammation-related diseases. It is also known as Dimethyl 4-methylbenzene-1,3-dicarbamate. It is not approved for clinical use and is intended for research purposes only.
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| Molecular Formula |
C11H14N2O4
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|---|---|
| Molecular Weight |
238.2399
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| Exact Mass |
238.095
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| CAS # |
6935-99-5
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| PubChem CID |
235307
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| Appearance |
Off-white to gray solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
271.5±40.0 °C at 760 mmHg
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| Flash Point |
118.0±27.3 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.600
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| LogP |
2.33
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
17
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| Complexity |
283
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
CNPWIVIIZHULCN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H14N2O4/c1-7-4-5-8(12-10(14)16-2)6-9(7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15)
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| Chemical Name |
methyl N-[3-(methoxycarbonylamino)-4-methylphenyl]carbamate
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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) |
DMSO : ~250 mg/mL (~1049.36 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.73 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 20.8 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: ≥ 2.08 mg/mL (8.73 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 20.8 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: ≥ 2.08 mg/mL (8.73 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1974 mL | 20.9872 mL | 41.9745 mL | |
| 5 mM | 0.8395 mL | 4.1974 mL | 8.3949 mL | |
| 10 mM | 0.4197 mL | 2.0987 mL | 4.1974 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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