| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The unlabeled compound, 3-Hydroxycarbofuran, targets the acetylcholinesterase (AChE) enzyme in the nervous system of insects and mammals, acting as a potent carbamate insecticide. The deuterated analog (3-Hydroxycarbofuran-d3) is used solely as an internal standard for analytical quantification and has no intrinsic biological or toxicological activity.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers that influence measurement during the drug development process. It's possible that the pharmacokinetics and functional range of medications contribute to the concern over mutagenesis [1].
In analytical assays, 3-Hydroxycarbofuran-d3 exhibits no in vitro biological or enzymatic activity. Its performance is defined by its ability to perfectly co-elute with the analyte 3-hydroxycarbofuran, compensate for matrix effects, and provide precise quantification across a dynamic range from 0.1 to 500 ng/mL in LC-MS/MS systems. |
| ln Vivo |
The in vivo activity of 3-Hydroxycarbofuran-d3 is not relevant, as it is not administered to animals as a test compound. It is used as a spiking standard for the quantitation of 3-hydroxycarbofuran in biological samples collected from toxicity or exposure studies involving the parent insecticide carbofuran or its metabolites.
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| Enzyme Assay |
As an analytical internal standard, 3-Hydroxycarbofuran-d3 is not used in enzyme/receptor binding assays. For quantification, a typical LC-MS/MS protocol involves reconstituting the compound in a suitable solvent (e.g., acetonitrile or methanol), spiking it into samples at a fixed concentration (e.g., 10-100 ng/mL), and monitoring the characteristic mass transitions (e.g., m/z 239 → 165 for unlabeled, m/z 242 → 165 for labeled).
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| Cell Assay |
This compound is not used in cell-based experiments. In cell culture studies of carbofuran metabolism, 3-Hydroxycarbofuran-d3 is used as an internal standard when analyzing cell lysates or supernatants. The labeled standard is added to samples during workup to correct for analyte loss and ionization efficiency in LC-MS/MS.
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| Animal Protocol |
3-Hydroxycarbofuran-d3 is not administered in vivo. In typical toxicology studies, animals are dosed with carbofuran or its metabolites, and biological samples (e.g., plasma, urine, liver homogenates) are collected. The deuterated internal standard is then added to these samples prior to extraction and LC-MS/MS analysis to quantify 3-hydroxycarbofuran levels.
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| ADME/Pharmacokinetics |
PK properties are not applicable as the compound is not administered systemically. For analytical preparation, 3-Hydroxycarbofuran-d3 is typically formulated as a solution in acetonitrile, methanol, or a mixture thereof at concentrations ranging from 10 ug/mL to 1 mg/mL. Stock solutions should be stored at -20degC and protected from light.
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| Toxicity/Toxicokinetics |
The toxicity of 3-Hydroxycarbofuran-d3 as a pure compound is expected to be similar to the parent 3-hydroxycarbofuran, which is moderately toxic via ingestion and inhalation. However, at the low ug/mL concentrations used as an analytical internal standard, the risk is negligible. Standard chemical safety precautions should be observed.
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| References | |
| Additional Infomation |
Stable isotope-labeled internal standards like 3-Hydroxycarbofuran-d3 are essential for achieving accurate and reliable quantification of pesticide residues in complex matrices, compensating for potential losses during sample preparation and matrix effects during instrumental analysis, in compliance with regulatory guidelines such as SANTE/11312/2021 for pesticide residue analysis.
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| Molecular Formula |
C12H15NO4
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|---|---|
| Molecular Weight |
240.270288705826
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| Exact Mass |
240.118
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| CAS # |
1794759-59-3
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| Related CAS # |
3-Hydroxycarbofuran;16655-82-6
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| PubChem CID |
71748838
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
1.2
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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 |
2
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| Heavy Atom Count |
17
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| Complexity |
305
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1C=CC=C2C(C(OC=12)(C)C)O)C(=O)NC([2H])([2H])[2H]
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| InChi Key |
RHSUJRQZTQNSLL-HPRDVNIFSA-N
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| InChi Code |
InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)/i3D3
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| Chemical Name |
(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-(trideuteriomethyl)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) |
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 | 4.1620 mL | 20.8099 mL | 41.6198 mL | |
| 5 mM | 0.8324 mL | 4.1620 mL | 8.3240 mL | |
| 10 mM | 0.4162 mL | 2.0810 mL | 4.1620 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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