| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| Other Sizes |
| Targets |
(±)-Equol-d4 shares the same molecular target as its non-deuterated form, equol. Equol is a phytoestrogen that binds to estrogen receptors (ERα and ERβ) with higher affinity for ERβ. It has been studied for its potential health benefits, including the prevention of hormone-related cancers and cardiovascular disease. The labeled compound is used as an internal standard for the quantification of equol in biological samples.
|
|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
The labeled compound itself does not possess intrinsic pharmacological activity in vitro; its biological activity is identical to that of equol. Equol has been shown to have estrogenic and antioxidant activities. The labeled compound is used as an internal standard for quantifying equol in biological samples, not for evaluating its own pharmacological activity. |
| ln Vivo |
(±)-Equol-d4 is not used as a therapeutic agent; its non-deuterated form, equol, is a phytoestrogen with potential health benefits. In vivo, equol is produced from daidzein by gut microbiota and is absorbed into the circulation. The labeled compound is used in pharmacokinetic and metabolic studies to accurately measure equol levels in plasma, urine, and tissue samples.
|
| Enzyme Assay |
In vitro assays for (±)-equol-d4 focus on its use as an analytical standard. A standard protocol involves preparing a solution of the compound in an appropriate solvent (e.g., methanol) and using it as an internal standard for LC-MS analysis of equol in biological samples (e.g., plasma, urine). The compound is added to samples before extraction and analysis. Quantification is performed by monitoring specific mass transitions.
|
| Cell Assay |
In vitro cell culture experiments are not performed with (±)-equol-d4. When studying the effects of equol in cellular systems, the non-labeled compound is used. Estrogen receptor-positive cells are treated with equol, and cell proliferation or gene expression is measured. The labeled compound is used as an internal standard for LC-MS analysis.
|
| Animal Protocol |
In vivo animal studies are not conducted with (±)-equol-d4. When used in pharmacokinetic studies, the labeled compound serves as an internal standard for the quantification of equol in animal plasma or tissue samples.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of (±)-equol-d4 itself are not characterized, as it is not a drug substance. Equol is absorbed after oral administration and has a half-life of approximately 8-10 hours in humans. The labeled compound is used as an internal standard for pharmacokinetic studies.
|
| Toxicity/Toxicokinetics |
(±)-Equol-d4 is not a therapeutic agent and has not been evaluated for toxicity in humans. Equol is generally recognized as safe when consumed as part of a soy-rich diet. The labeled compound is for research use only and should be handled with standard laboratory precautions.
|
| References | |
| Additional Infomation |
(±)-Equol-d4 is a stable isotope-labeled internal standard used in studies of estrogenic activity, phytoestrogen metabolism, and hormone-related therapies. It is also known as (R,S)-equol-d4. The compound is used in analytical method development, quality control, and biomonitoring studies.
|
| Molecular Formula |
C15H14O3
|
|---|---|
| Molecular Weight |
246.294511318207
|
| Exact Mass |
246.119
|
| CAS # |
1216469-13-4
|
| PubChem CID |
45039147
|
| Appearance |
White to off-white solid powder
|
| LogP |
3
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
18
|
| Complexity |
273
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1([2H])OC2=C(C=CC(O)=C2)C([2H])([2H])C1([2H])C1=CC=C(O)C=C1
|
| InChi Key |
ADFCQWZHKCXPAJ-YHBSYLJLSA-N
|
| InChi Code |
InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/i7D2,9D,12D
|
| Chemical Name |
2,3,4,4-tetradeuterio-3-(4-hydroxyphenyl)-2H-chromen-7-ol
|
| 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 | 4.0603 mL | 20.3013 mL | 40.6025 mL | |
| 5 mM | 0.8121 mL | 4.0603 mL | 8.1205 mL | |
| 10 mM | 0.4060 mL | 2.0301 mL | 4.0603 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
