| Targets |
Bisphenol A bissulfate disodium is a metabolite. It does not have a specific pharmacological target. It is a conjugate for detoxification. In research, it is a biomarker for BPA exposure. In high-dose assays, it exhibits weak complement inhibitory activity (targeting the complement system C3/C5 convertase), but this is not its primary role. It does not bind to estrogen receptors (ERalpha/beta) significantly.
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|---|---|
| ln Vitro |
In vitro, bisphenol A bissulfate disodium is used as an analytical standard. For complement inhibition, a classical pathway hemolysis assay (CH50) can be performed: sensitized sheep red blood cells are incubated with human complement and varying concentrations of the compound (1-1000 uM). It has an IC50 of 247 uM. It is not cytotoxic (IC50 > 500 uM in HepG2 cells). It is not an endocrine agonist.
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| ln Vivo |
In vivo, this compound is not a therapeutic agent. It is a metabolite detected in urine after BPA exposure. It is used as a standard to quantify BPA metabolism in toxicokinetic studies. It is not administered for efficacy.
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| Enzyme Assay |
General protocol for in vitro analytical use: For LC-MS analysis of BPA metabolites, spike 100 uL of urine with internal standard (BPA-d16). Prepare calibration standards of BPA bissulfate at 0.1-100 ng/mL. Extract using solid-phase extraction (C18). Inject onto LC-MS (C18 column, water:acetonitrile gradient). Negative ion mode, m/z 431 → 80 (SO3-). The standard is stored at -20degC.
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| Cell Assay |
General protocol for in vitro cell-based experiments: For complement inhibition, use a hemolytic assay. Incubate the compound (1-1000 uM) with human serum (source of complement) and antibody-sensitized sheep red blood cells. Incubate at 37degC for 30 min. Centrifuge and measure hemoglobin in supernatant (OD 540 nm). Calculate % lysis. The compound should inhibit hemolysis with IC50 ~ 250 uM.
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| Animal Protocol |
General protocol for in vivo animal experiments: For a toxicokinetic study, administer BPA (10 mg/kg, oral) to rats. Collect urine at 24 h. Add the disulfate standard to the sample before analysis to quantify the metabolite (BPA sulfates). No direct administration of the metabolite.
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: This compound is a water-soluble solid (MW 432.38). It is not a drug. For storage, keep at -20degC.
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| Toxicity/Toxicokinetics |
General toxicity profile: This is a research standard. It is not considered highly toxic. Standard safety precautions apply.
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| References |
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| Additional Infomation |
Bisphenol A bissulfate disodium is a reference standard for environmental health studies. For research use only.
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| Exact Mass |
431.993
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|---|---|
| CAS # |
10040-44-5
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| PubChem CID |
70540770
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| Appearance |
Typically exists as solids at room temperature
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
27
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| Complexity |
545
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
OAPPROYXVPMBRW-UHFFFAOYSA-L
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| InChi Code |
InChI=1S/C15H16O8S2.2Na/c1-15(2,11-3-7-13(8-4-11)22-24(16,17)18)12-5-9-14(10-6-12)23-25(19,20)21;;/h3-10H,1-2H3,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2
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| Chemical Name |
disodium;[4-[2-(4-sulfonatooxyphenyl)propan-2-yl]phenyl] sulfate
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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.) |
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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