| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg | |||
| Other Sizes |
| Targets |
Bisphenol A-d16 does not have a specific biological target itself, as it is an analytical internal standard. However, its unlabeled counterpart, bisphenol A (BPA), is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). BPA is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductive disorders.
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|---|---|
| ln Vitro |
Bisphenol A-d16 is not typically used for in vitro activity studies in the same way as pharmacologically active compounds. However, it is widely used as an internal standard in in vitro assays to study BPA's endocrine-disrupting effects. It is used to accurately quantify BPA levels in cell culture media and cell lysates. It is also used in studies of BPA's environmental fate and metabolism.
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| ln Vivo |
As an analytical internal standard, Bisphenol A-d16 is not used for in vivo activity studies. However, it is widely used as an internal standard in in vivo toxicological models to study BPA's effects. It is used to accurately quantify BPA levels in biological samples such as plasma, urine, and tissues. This ensures accurate measurement of BPA exposure and its correlation with toxicological outcomes.
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| Enzyme Assay |
In vitro assays for Bisphenol A-d16 typically involve its use as an internal standard in analytical methods such as LC-MS/MS. It is added to samples to correct for variability in sample preparation and instrument performance, ensuring accurate quantification of BPA. It may also be used in binding studies to assess the interaction of BPA with receptors such as estrogen receptors, although the labeled compound is primarily used for quantification.
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| Cell Assay |
Bisphenol A-d16 is not used in cell-based assays as a bioactive compound. However, it may be used as an internal standard in cell-based assays that measure the uptake, metabolism, or effects of BPA on cultured cells. In these applications, the labeled compound is added to cell culture media or cell lysates to enable accurate quantification of BPA levels by LC-MS/MS.
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| Animal Protocol |
In vivo animal studies using Bisphenol A-d16 are not typically performed as an active treatment. However, the compound may be administered to animals in metabolic tracing studies to track the fate of BPA in vivo. In such studies, the labeled compound is used to distinguish between endogenous and exogenous BPA and to study its metabolism and distribution in various tissues.
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| ADME/Pharmacokinetics |
Bisphenol A-d16 has a molecular formula of C15D16O2 and a molecular weight of 244.38. It has an isotopic purity of 98 atom % D. The CAS number is 96210-87-6. The compound is typically supplied as a powder or solution and should be stored according to the manufacturer's recommendations. It is used as an internal standard for the quantification of BPA.
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| Toxicity/Toxicokinetics |
The toxicity profile of Bisphenol A-d16 is similar to that of unlabeled BPA, as it is a deuterated analog. BPA is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). The oral LD50 in rats is 5.000 mg/kg. It is associated with many diseases. The compound is intended for research use only.
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| References |
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| Additional Infomation |
Bisphenol A-d16 (CAS 96210-87-6) is a perdeuterated isotopologue of bisphenol A (BPA, CAS 80-05-7) in which all 16 hydrogen atoms are substituted with deuterium. It is widely used as an internal standard in analytical research to study BPA's endocrine-disrupting effects in both in vitro assays and in vivo toxicological models. BPA is a reproductive, developmental, and systemic toxicant.
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| Molecular Formula |
C15D16O2
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|---|---|
| Molecular Weight |
244.38
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| Exact Mass |
244.215
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| CAS # |
96210-87-6
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| Related CAS # |
Bisphenol A;80-05-7;Bisphenol A-d6;86588-58-1
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| PubChem CID |
16212886
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| Appearance |
White to off-white solid powder
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| Density |
1.224 g/cm3
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| Boiling Point |
220ºC4 mm Hg(lit.)
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| Melting Point |
157-159ºC(lit.)
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| Flash Point |
192.4ºC
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| LogP |
3.423
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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 |
17
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| Complexity |
209
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1C(C2=C(C(=C(C(=C2[2H])[2H])O[2H])[2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H])O[2H])[2H]
|
| InChi Key |
IISBACLAFKSPIT-MAJJRYNQSA-N
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| InChi Code |
InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D/hD2
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| Chemical Name |
1,2,4,5-tetradeuterio-3-deuteriooxy-6-[1,1,1,3,3,3-hexadeuterio-2-(2,3,5,6-tetradeuterio-4-deuteriooxyphenyl)propan-2-yl]benzene
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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 | 4.0920 mL | 20.4599 mL | 40.9199 mL | |
| 5 mM | 0.8184 mL | 4.0920 mL | 8.1840 mL | |
| 10 mM | 0.4092 mL | 2.0460 mL | 4.0920 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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