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Aflatoxin B2-13C17 (aflatoxin B2-13C17)

Cat No.:V63867 Purity: ≥98%
Aflatoxin B2-13C17 is a 13C (carbon 13)-labeled Aflatoxin B2.
Aflatoxin B2-13C17 (aflatoxin B2-13C17)
Aflatoxin B2-13C17 (aflatoxin B2-13C17) Chemical Structure CAS No.: 1217470-98-8
Product category: Isotope-Labeled Compounds
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
0.6 μg (1.50 μM * 1.2 mL in Acetonitrile)
Other Sizes

Other Forms of Aflatoxin B2-13C17 (aflatoxin B2-13C17):

  • Aflatoxin B2
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Aflatoxin B2-13C17 is a 13C (carbon 13)-labeled Aflatoxin B2. Aflatoxin B2 is a major naturally occurring aflatoxin. Aflatoxin B2 is a mycotoxin produced by Aspergillus flavus and Aspergillus parasiticus. The order of toxicity is Aflatoxin B1>Aflatoxin M1>Aflatoxin G1>Aflatoxin B2>Aflatoxin M2>Aflatoxin G2.
Aflatoxin B2-13C17 is a 13C (carbon-13) labeled form of aflatoxin B2, a naturally occurring mycotoxin produced by certain strains of fungi, including Aspergillus flavus and Aspergillus parasiticus. Its molecular formula is C17H14O6 (with all 17 carbons replaced by 13C) with a molecular weight of 331.44 g/mol. Aflatoxin B2-13C17 (AFB2-13C17) is intended for use as an internal standard for the quantification of AFB2 by GC- or LC-MS. AFB2 is a mycotoxin that has been found in A. terricola. The compound may be used as an analytical standard for the determination of aflatoxin B2 in food grade gums as well as milk, milk-based infant formula, and feed samples by stable isotope dilution and liquid chromatography combined with tandem mass spectrometry (LC-MS/MS). Aflatoxin B2 is also known for its immunosuppressive and mutagenic properties.
Biological Activity I Assay Protocols (From Reference)
Targets
As a 13C-labeled compound, Aflatoxin B2-13C17 does not have a specific biological target for its use as an analytical standard. Its primary function is as an internal standard for the quantification of aflatoxin B2 by mass spectrometry.
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].
The compound is not evaluated for traditional in vitro biological activity. Its "activity" is as an analytical standard enabling accurate quantification of AFB2 by GC- or LC-MS. It is used in stable isotope dilution mass spectrometry for the determination of aflatoxin B2 in food and feed samples.
ln Vivo
No in vivo activity is applicable for Aflatoxin B2-13C17, as it is not a therapeutic agent. Its use is confined to the laboratory for analytical chemistry and food safety testing. The compound is not administered to living organisms for any biological effect.
Enzyme Assay
The compound is used as an internal standard for the quantification of AFB2 by GC- or LC-MS. Its performance is assessed by its ability to provide accurate and precise quantification of AFB2 in complex food and feed matrices using stable isotope dilution mass spectrometry.
Cell Assay
Aflatoxin B2-13C17 is not used in standard cell culture for pharmacological studies. It is a chemical reagent used in analytical chemistry for the quantification of aflatoxins in food and feed samples. Its isotopic labeling allows for precise measurement of AFB2 levels.
Animal Protocol
Animal studies are not conducted with Aflatoxin B2-13C17 as an active compound. It is used as an internal standard in analytical methods for quantifying AFB2 in biological samples from animals. The compound is never administered to animals for therapeutic or investigative purposes.
ADME/Pharmacokinetics
Pharmacokinetic properties are not relevant for Aflatoxin B2-13C17, as it is not a therapeutic agent. Its chemical properties include a molecular weight of 331.44 g/mol and a molecular formula of C17H14O6 (with all 17 carbons as 13C). The compound is typically stored as a powder at -20°C for up to 3 years or in solvent at -80°C for up to 1 year.
Toxicity/Toxicokinetics
Toxicological data for Aflatoxin B2-13C17 are not extensively detailed, as it is a research compound. It is not intended for human or veterinary use. Standard laboratory safety precautions, including the use of personal protective equipment (PPE), should be followed when handling the compound.
References

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.

Additional Infomation
Aflatoxin B2-13C17 is a research-grade compound used as an internal standard for the quantification of aflatoxin B2. Its 13C labeling enables accurate and precise measurement of AFB2 in food and feed samples by stable isotope dilution mass spectrometry. The compound is not approved for therapeutic use and is strictly for laboratory research.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
13C17H14O6
Molecular Weight
331.16
Exact Mass
331.136
CAS #
1217470-98-8
Related CAS #
Aflatoxin B2;7220-81-7
PubChem CID
71312443
Appearance
Typically exists as solid at room temperature
Flash Point
2℃
LogP
2.152
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Heavy Atom Count
23
Complexity
610
Defined Atom Stereocenter Count
2
SMILES
O1[13C]2[13CH]=[13C]([13C]3[13C]4=[13C]([13C](=O)O[13C]=3[13C]=2[13C@@H]2[13CH2][13CH2]O[13C@H]12)[13C]([13CH2][13CH2]4)=O)O[13CH3]
InChi Key
WWSYXEZEXMQWHT-DENWKYDXSA-N
InChi Code
InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1
Chemical Name
(3S,7R)-11-(113C)methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
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 Data
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
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.0197 mL 15.0984 mL 30.1969 mL
5 mM 0.6039 mL 3.0197 mL 6.0394 mL
10 mM 0.3020 mL 1.5098 mL 3.0197 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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