| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Not applicable. Bisphenol Z-d6 is not a pharmacologically active drug; it is an analytical internal standard. The unlabeled compound, Bisphenol Z (CAS 843-55-0), is an endocrine-disrupting chemical (EDC) that interacts with estrogen receptors (ERalpha and ERbeta). As a bisphenol analog, it exhibits estrogenic activity and has been detected in environmental samples (dust, water, food packaging). The d6-labeled version is used as an internal standard for quantifying Bisphenol Z in environmental and biological matrices by mass spectrometry.
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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 vitro, the unlabeled Bisphenol Z has demonstrated estrogenic activity in cell-based reporter assays, binding to both estrogen receptor alpha (ERalpha) and estrogen receptor beta (ERbeta) with affinity comparable to or lower than that of Bisphenol A (BPA). It has been shown to induce proliferation of estrogen-sensitive breast cancer cell lines (e.g., MCF-7) and activate estrogen response element (ERE)-driven gene expression. The d6-labeled version has no biological activity and is used purely as an analytical standard. |
| ln Vivo |
In vivo, Bisphenol Z (unlabeled) has been detected in human urine, serum, and breast milk, indicating human exposure through environmental sources such as food packaging, thermal paper, and dust. Animal studies have shown that Bisphenol Z can cause reproductive and developmental toxicity, as well as estrogenic effects, similar to but often less potent than Bisphenol A. Its longer alkyl side chain (cyclohexane ring) alters its pharmacokinetic properties compared to BPA. The d6-labeled standard is used for quantitation.
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| Enzyme Assay |
Not applicable. As an analytical internal standard, Bisphenol Z-d6 is used in LC-MS/MS or GC-MS methods for the quantification of Bisphenol Z in environmental and biological samples (e.g., water, soil, dust, urine, serum, food packaging extracts). A typical non-cellular workflow involves: preparing the d6-labeled compound as an internal standard; adding it to samples; performing solid-phase extraction (SPE) with polymeric or C18 sorbents; derivatization (for GC-MS analysis, often with silylating agents); separation by reversed-phase HPLC or GC; and detection by tandem mass spectrometry in negative ion mode using multiple reaction monitoring (MRM).
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| Cell Assay |
Not applicable. Bisphenol Z-d6 is not used in standard cell-based assays for pharmacological purposes. As an analytical internal standard, it is added to cell culture supernatants or lysates for quantitation of Bisphenol Z exposure. If cell-based studies are performed with the unlabeled compound, they involve treating estrogen-sensitive cell lines (e.g., MCF-7, T47D) and measuring proliferation, gene expression (e.g., by qPCR for pS2/TFF1), or luciferase reporter activity (ERE-luciferase). The d6-labeled standard may be used for LC-MS/MS quantitation of Bisphenol Z uptake in those studies.
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| Animal Protocol |
Not applicable. Bisphenol Z-d6 is not used as a therapeutic agent in animal experiments. It is an analytical internal standard for ex vivo quantitation. In toxicological studies, animals (typically rodents) are administered Bisphenol Z orally or via injection, and serum, urine, or tissue samples are collected. Bisphenol Z levels are quantified by LC-MS/MS using the d6-labeled compound as the internal standard. The labeled standard itself is not administered to the animals.
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| ADME/Pharmacokinetics |
Not applicable. Bisphenol Z-d6 is not a drug candidate; therefore, no pharmacokinetic parameters are reported. The compound is supplied as a solid with a molecular weight of 274.39 and deuterium incorporation for stable isotope labeling. The unlabeled Bisphenol Z has a logP of approximately 4.5-5.0, indicating moderate to high lipophilicity. It is expected to have low water solubility, high plasma protein binding, and undergo phase II metabolism (glucuronidation and sulfation) similar to BPA. The d6-labeled version has identical physical and chemical properties.
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| Toxicity/Toxicokinetics |
Not applicable. Toxicity studies are not performed for analytical reference standards like Bisphenol Z-d6, as it is not intended for human consumption. The unlabeled compound, Bisphenol Z, is classified as an endocrine-disrupting chemical with potential reproductive and developmental toxicity. It exhibits estrogenic activity and may have adverse effects on the endocrine system. Handling should be done with caution using appropriate personal protective equipment, and skin contact or inhalation should be avoided. Disposal should follow local environmental regulations.
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| References |
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.
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| Additional Infomation |
Bisphenol Z-d6 is a stable isotope-labeled internal standard for the LC-MS/MS quantification of Bisphenol Z, a bisphenol analog used in industrial applications (e.g., production of polycarbonate plastics, epoxy resins, thermal paper). As an environmental contaminant and potential endocrine disruptor, Bisphenol Z is monitored in environmental and biological samples for exposure assessment and toxicological research. The d6-labeled standard is strictly a research-grade analytical tool with no approved therapeutic indications.
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| Molecular Formula |
C18H14D6O2
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|---|---|
| Molecular Weight |
274.39
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| Exact Mass |
274.184
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| CAS # |
2733972-12-6
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| PubChem CID |
162642337
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| Appearance |
Typically exists as solid at room temperature
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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 |
20
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| Complexity |
269
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[2H]
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| InChi Key |
SDDLEVPIDBLVHC-NMFSSPJFSA-N
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| InChi Code |
InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2/i1D2,2D2,3D2
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| Chemical Name |
4-[3,3,4,4,5,5-hexadeuterio-1-(4-hydroxyphenyl)cyclohexyl]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 | 3.6444 mL | 18.2222 mL | 36.4445 mL | |
| 5 mM | 0.7289 mL | 3.6444 mL | 7.2889 mL | |
| 10 mM | 0.3644 mL | 1.8222 mL | 3.6444 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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