| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
There is no specific biological target for this compound. The unlabeled parent compound is an industrial chemical and a known environmental estrogen that can bind to estrogen receptors, causing endocrine disruption. The deuterated analog is solely an analytical standard used to monitor exposure levels to such endocrine disruptors.
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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].
There is no specific in vitro biological activity for the compound itself. In cell-free assays, it functions as an inert analytical standard. In in vitro toxicology studies, the unlabeled parent compound is used to expose cells (e.g., MCF-7 breast cancer cells). The labeled standard is then used to quantify the exposure concentration in the cell culture medium. |
| ln Vivo |
There is no in vivo activity for the labeled standard. The unlabeled parent compound is a model environmental estrogen and is used in animal studies to understand its endocrine-disrupting effects. The labeled standard is used as an internal standard to measure the concentration of the unlabeled compound in animal serum or tissue samples by LC-MS/MS.
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| Enzyme Assay |
4,4'-Dihydroxydiphenylmethane-d10 is not used in enzyme/receptor binding protocols. A typical analytical protocol involves preparing a stock solution of the internal standard in methanol. It is then spiked into calibration standards and samples. The sample is subjected to enzymatic hydrolysis (if necessary), liquid-liquid extraction, and derivatization prior to GC-MS analysis.
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| Cell Assay |
This compound is not used directly in cell-based experiments for its own activity. In a typical cell culture experiment studying the effects of bisphenols, cells are exposed to the unlabeled parent compound. The deuterated standard is then added to the culture medium samples to quantify the actual concentration of the bisphenol the cells were exposed to.
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| Animal Protocol |
In an in vivo exposure study, animals are administered unlabeled bisphenol F (BPF). Urine and blood samples are collected. A known concentration of the deuterated internal standard (4,4'-Dihydroxydiphenylmethane-d10) is added to the samples. After sample preparation, the BPF concentration is determined by LC-MS/MS or GC-MS to assess systemic exposure.
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| ADME/Pharmacokinetics |
As an analytical standard, this compound is not used for PK studies itself. For in vivo analysis where it is used as a standard, it is typically formulated as a solution in methanol or acetonitrile at a concentration of 100-1000 ug/mL. Working solutions are prepared by further dilution with methanol or water.
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| Toxicity/Toxicokinetics |
General toxicity for the labeled standard is not a concern at the trace analytical levels used. The unlabeled parent compound is a bisphenol known to be an endocrine disruptor, but it is less potent than BPA. Standard safety precautions for handling potential endocrine disruptors should be followed.
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| References | |
| Additional Infomation |
4,4'-Dihydroxydiphenylmethane-d10 is an isotopically labeled standard for bisphenol analysis. It is used to monitor human exposure to bisphenol F (BPF), a common substitute for BPA in "BPA-free" plastic products. The deuterated standard ensures the accuracy of exposure assessments by compensating for losses during sample workup.
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| Molecular Formula |
C13H2D10O2
|
|---|---|
| Molecular Weight |
210.29
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| Exact Mass |
210.146
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| CAS # |
1794786-93-8
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| Related CAS # |
4,4'-Dihydroxydiphenylmethane;620-92-8
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| PubChem CID |
71314107
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
390.0±22.0 °C at 760 mmHg
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| Flash Point |
192.9±16.9 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.635
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| LogP |
2.73
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
15
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| Complexity |
157
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1C([2H])([2H])C2=C(C(=C(C(=C2[2H])[2H])O)[2H])[2H])[2H])[2H])O)[2H]
|
| InChi Key |
PXKLMJQFEQBVLD-QNNBDYQESA-N
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| InChi Code |
InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D2
|
| Chemical Name |
2,3,5,6-tetradeuterio-4-[dideuterio-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)methyl]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 | 4.7553 mL | 23.7767 mL | 47.5534 mL | |
| 5 mM | 0.9511 mL | 4.7553 mL | 9.5107 mL | |
| 10 mM | 0.4755 mL | 2.3777 mL | 4.7553 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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