| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
Guaiacol-d3 targets the same biological pathways as guaiacol, primarily involving the inhibition of COX-2 expression and NF-κB activation in response to LPS stimulation. Guaiacol is a phenolic compound that exhibits anti-inflammatory activity by suppressing the production of pro-inflammatory mediators. The deuterium-labeled form (Guaiacol-d3) is used as a tracer or internal standard in analytical applications rather than for direct therapeutic targeting. The compound's mechanism involves the modulation of inflammatory signaling pathways through the inhibition of NF-κB, a key transcription factor in inflammation.
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| ln Vitro |
Guaiacol, the non-deuterated parent compound, exhibits anti-inflammatory activity by inhibiting LPS-stimulated COX-2 expression and NF-κB activation. Guaiacol-d3, as the deuterium-labeled analog, is expected to have similar biological activity to guaiacol, although its primary use is as an analytical standard rather than for biological activity assessment. Guaiacol has been recognized for its characteristic smoky or spicy notes and is used as a flavoring agent and in pharmaceuticals. The compound also has applications in various industrial and research settings.
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| ln Vivo |
In vivo activity data for Guaiacol-d3 are limited, as the compound is primarily used as a stable isotope-labeled internal standard for analytical applications rather than for in vivo efficacy studies. Guaiacol, the non-deuterated parent compound, has been studied for its anti-inflammatory properties in animal models. However, specific in vivo efficacy studies for Guaiacol-d3 are not well-documented in the public domain. The compound is generally used in mass spectrometry and analytical chemistry for quantitative analysis of guaiacol and related compounds.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Guaiacol-d3 typically involve using the compound as an internal standard in mass spectrometry-based assays. For biological activity assessment, assays would be similar to those for guaiacol, involving the measurement of COX-2 expression and NF-κB activation in response to LPS stimulation. Cells are treated with the compound (typically 1-100 μM) in the presence of LPS, and the levels of COX-2 and NF-κB are measured by Western blot, ELISA, or qPCR. Guaiacol-d3 is dissolved in appropriate solvents such as DMSO or ethanol for assay preparation.
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| Cell Assay |
In vitro cellular assays for Guaiacol-d3 typically involve treating cultured cells (such as macrophages or other inflammatory cell models) with the compound at concentrations ranging from 1 to 100 μM for 4-24 hours, followed by stimulation with LPS. The cells are then analyzed for COX-2 expression and NF-κB activation using Western blot, ELISA, or immunofluorescence. The compound is dissolved in DMSO as a stock solution and diluted in cell culture medium. Guaiacol-d3 is primarily used as an analytical standard rather than for biological activity assessment, and its deuterium labeling allows for detection by mass spectrometry.
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| Animal Protocol |
In vivo animal studies for Guaiacol-d3 are not extensively documented, as the compound is primarily used as an analytical standard. For pharmacokinetic or metabolic studies, Guaiacol-d3 could be administered to mice or rats via oral gavage or intravenous injection, and blood, urine, or tissue samples could be collected for analysis by mass spectrometry. The deuterium labeling allows for the compound to be distinguished from endogenous guaiacol. Doses would be determined based on the specific study objectives, typically ranging from 1 to 100 mg/kg.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Guaiacol-d3 are similar to those of guaiacol, as the deuterium substitution does not significantly alter the compound's physicochemical properties. The compound has a molecular weight of 127.16 g/mol and formula C7H5D3O2. Recommended storage conditions are powder at -20°C for 3 years and in solvent at -80°C for 1 year. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination. The compound is soluble in organic solvents and is typically used as an analytical standard.
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| Toxicity/Toxicokinetics |
Toxicity data for Guaiacol-d3 are not extensively reported. Guaiacol, the parent compound, is known to be a toxic chemical that is irritating to the skin and mucous membranes. Eye contact can cause serious damage, and skin contact can cause burning sensation, dermatitis, and blisters. Guaiacol-d3, as a deuterium-labeled analog, is expected to have similar toxicity profiles. The compound is intended for research use only and is not approved for human therapeutic applications. Appropriate safety precautions should be taken when handling.
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| References | |
| Additional Infomation |
Guaiacol-d3 (CAS 74495-69-5) is a deuterium-labeled form of guaiacol (2-methoxyphenol) in which three hydrogen atoms are replaced with deuterium. It has a molecular weight of 127.16 g/mol and formula C7H5D3O2. Guaiacol is a phenolic compound known for its ability to inhibit LPS-stimulated COX-2 expression and NF-κB activation, exhibiting anti-inflammatory properties. Guaiacol-d3 is used as a stable isotope-labeled internal standard in mass spectrometry and analytical chemistry applications. It is also known as 2-(Methoxy-d3)phenol. The compound is not approved for clinical use.
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| Molecular Formula |
C7H8O2
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|---|---|
| Molecular Weight |
127.1557
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| Exact Mass |
127.071
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| CAS # |
74495-69-5
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| Related CAS # |
Guaiacol;90-05-1
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| PubChem CID |
12213392
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.137 g/cm3
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| Boiling Point |
204.999ºC at 760 mmHg
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| Flash Point |
83.074ºC
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| LogP |
1.4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
9
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| Complexity |
83
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([2H])([2H])[2H])C1=C([H])C([H])=C([H])C([H])=C1O[H]
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| InChi Key |
LHGVFZTZFXWLCP-FIBGUPNXSA-N
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| InChi Code |
InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i1D3
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| Chemical Name |
2-(trideuteriomethoxy)phenol
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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 | 7.8641 mL | 39.3205 mL | 78.6411 mL | |
| 5 mM | 1.5728 mL | 7.8641 mL | 15.7282 mL | |
| 10 mM | 0.7864 mL | 3.9321 mL | 7.8641 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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