| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
There is no specific biological target for this labeled compound. The unlabeled parent compound, Bisphenol AP, is an environmental estrogen, meaning it can bind to estrogen receptors (ERalpha and ERbeta). The labeled analog is used to study the concentration of Bisphenol AP in samples, not its mechanism of action.
|
|---|---|
| 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].
There is no specific in vitro biological activity for this compound. It is an analytical standard used to support research on environmental toxicants. In cell-free assays, it is inert and serves as an internal standard for analytical testing. In vitro studies of the unlabeled parent compound would involve exposing cells to Bisphenol AP and using the labeled standard to measure the exposure concentration. |
| ln Vivo |
There is no in vivo activity for the labeled standard. Bisphenol AP is not a therapeutic agent but is a suspected endocrine disruptor (xenoestrogen). The labeled standard is used in animal studies to accurately quantify the concentration of unlabeled Bisphenol AP in tissues after exposure, allowing researchers to correlate exposure levels with toxicological outcomes.
|
| Enzyme Assay |
As an analytical internal standard, Bisphenol AP-d5 is not used in enzyme/receptor binding protocols. A typical analytical protocol involves spiking a known amount of the labeled standard into an environmental or biological sample (e.g., water, sediment, serum). The sample is then extracted, cleaned up, and analyzed by LC-MS/MS.
|
| Cell Assay |
This compound is not used directly in cell-based experiments for its own activity. In a cell culture study to assess the estrogenic activity of Bisphenol AP, cells (e.g., MCF-7 breast cancer cells) are exposed to the unlabeled compound. The deuterated standard is added to the culture medium during LC-MS/MS sample preparation to quantify the actual concentration of the test article.
|
| Animal Protocol |
In a typical in vivo study, rats are orally administered unlabeled Bisphenol AP. Blood, urine, and tissue samples (e.g., liver, uterus) are collected. The deuterated internal standard (Bisphenol AP-d5) is added to the samples. The concentration of Bisphenol AP is then measured by LC-MS/MS to determine its toxicokinetic parameters (Cmax, t1/2, tissue distribution).
|
| ADME/Pharmacokinetics |
As an analytical standard, Bisphenol AP-d5 is not used for its own PK profile. It is formulated as a neat solid or as a solution in an organic solvent such as methanol or acetonitrile (e.g., 100 ug/mL). Working solutions are prepared by dilution.
|
| Toxicity/Toxicokinetics |
General toxicity for the labeled standard is not a concern at the trace analytical concentrations used. The unlabeled parent compound is a potential endocrine disruptor. Standard safety precautions for handling chemical standards (gloves, lab coat) should be used.
|
| References | |
| Additional Infomation |
Bisphenol AP-d5 is a high-purity analytical standard for the detection of bisphenol analogues. Bisphenol AP (BPAP) is one of many bisphenol compounds used as substitutes for BPA in consumer plastics. The d5-labeled standard is used in environmental and human biomonitoring studies to assess exposure to these emerging contaminants and their role as endocrine disruptors.
|
| Molecular Formula |
C20H13D5O2
|
|---|---|
| Molecular Weight |
290.36
|
| Exact Mass |
295.162
|
| CAS # |
2469555-57-3
|
| PubChem CID |
139026124
|
| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
22
|
| Complexity |
310
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[2H])[2H]
|
| InChi Key |
VOWWYDCFAISREI-VIQYUKPQSA-N
|
| InChi Code |
InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3/i2D,3D,4D,5D,6D
|
| Chemical Name |
4-[1-(4-hydroxyphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)ethyl]phenol
|
| 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 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 | 3.4440 mL | 17.2200 mL | 34.4400 mL | |
| 5 mM | 0.6888 mL | 3.4440 mL | 6.8880 mL | |
| 10 mM | 0.3444 mL | 1.7220 mL | 3.4440 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
