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(3S,7R)-11-(113C)Methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione

Cat No.:V62893 Purity: ≥98%
Aflatoxin G1-13C17 is an isotopic analogue of 13C (carbon 13)-labeled Aflatoxin G1.
(3S,7R)-11-(113C)Methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
(3S,7R)-11-(113C)Methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione Chemical Structure CAS No.: 1217444-07-9
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 (1.44 μM * 1.2 mL in Acetonitrile)
Other Sizes

Other Forms of (3S,7R)-11-(113C)Methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione:

  • Aflatoxin G1
Official Supplier of:
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Product Description
Aflatoxin G1-13C17 is an isotopic analogue of 13C (carbon 13)-labeled Aflatoxin G1. Aflatoxin G1 is a naturally occurring aflatoxin produced by molds such as Aspergillus flavus and Aspergillus parasiticus. Aflatoxins are hepatotoxic, teratogenic, and carcinogenic fungal metabolites found in feed, nuts, wine, spices, and other food crops.
This compound, with the systematic name (3S,7R)-11-(113C)Methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione, is Aflatoxin G1-13C17. It is a 13C (carbon-13) labeled form of aflatoxin G1, a naturally occurring aflatoxin produced by Aspergillus flavus and Aspergillus parasiticus. Its molecular formula is 13C17H12O7 with a molecular weight of 345.15 g/mol. Aflatoxin G1-13C17 is intended for use as an internal standard for the quantification of aflatoxin G1 by GC- or LC-MS. The compound is typically stored as a powder at -20°C for 3 years or in solvent at -80°C for 1 year.
Biological Activity I Assay Protocols (From Reference)
Targets
Aflatoxin G1-13C17 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 G1 by mass spectrometry. The unlabeled aflatoxin G1 is a mycotoxin that targets the liver and has carcinogenic properties. The labeled compound is not used to study these effects.
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].
Aflatoxin G1-13C17 itself is not evaluated for traditional in vitro biological activity. Its "activity" is as an analytical standard enabling accurate quantification of aflatoxin G1 by GC- or LC-MS. It is used in stable isotope dilution mass spectrometry for the determination of aflatoxin G1 in food and feed samples.
ln Vivo
No in vivo activity is applicable for Aflatoxin G1-13C17 as a labeled compound. 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
Aflatoxin G1-13C17 is used as an internal standard for the quantification of aflatoxin G1 by GC- or LC-MS. Its performance is assessed by its ability to provide accurate and precise quantification of aflatoxin G1 in complex food and feed matrices using stable isotope dilution mass spectrometry.
Cell Assay
Aflatoxin G1-13C17 is used as an internal standard in the analysis of food and feed samples. It is added to samples to correct for variability in sample preparation and instrument performance. The labeled and unlabeled compounds are co-eluted and detected by mass spectrometry, allowing for accurate quantification of aflatoxin G1.
Animal Protocol
Aflatoxin G1-13C17 is used in food safety and analytical research as an internal standard for the quantification of aflatoxin G1 in samples from animals and food products. It is added to samples to accurately measure aflatoxin G1 concentrations for regulatory and research purposes. The compound itself is not administered to animals.
ADME/Pharmacokinetics
Aflatoxin G1-13C17 has a molecular weight of 345.15 g/mol and a molecular formula of 13C17H12O7. It is a 13C-labeled form of aflatoxin G1. The compound is typically stored as a powder at -20°C for 3 years or in solvent at -80°C for 1 year. It is soluble in organic solvents such as acetonitrile.
Toxicity/Toxicokinetics
Toxicological data for Aflatoxin G1-13C17 are not extensively detailed, as it is a research compound. The unlabeled aflatoxin G1 is a mycotoxin with carcinogenic properties. The compound is not intended for human or veterinary use. Standard laboratory safety precautions should be followed when handling this compound.
References

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-220.

[2]. Aflatoxins: Implications on Health. Indian J Clin Biochem. 2017 Jun;32(2):124-133.

[3]. Aflatoxins B1, B2, G1, and G2 contamination in ground red peppers commercialized in Sanliurfa, Turkey. Environ Monit Assess. 2015 Apr;187(4):184.

Additional Infomation
Aflatoxin G1-13C17 is a 13C-labeled form of aflatoxin G1, a naturally occurring aflatoxin produced by Aspergillus flavus and Aspergillus parasiticus. It is intended for use as an internal standard for the quantification of aflatoxin G1 by GC- or LC-MS. 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
13C17H12O7
Molecular Weight
345.15
Exact Mass
345.115
CAS #
1217444-07-9
Related CAS #
Aflatoxin G1;1165-39-5
PubChem CID
71312517
Appearance
Typically exists as solid at room temperature
Flash Point
2℃
LogP
1.86
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Heavy Atom Count
24
Complexity
666
Defined Atom Stereocenter Count
2
SMILES
O1[13C]2[13CH]=[13C]([13C]3[13C]4=[13C]([13C](=O)O[13CH2][13CH2]4)[13C](=O)O[13C]=3[13C]=2[13C@@H]2[13CH]=[13CH]O[13C@H]12)O[13CH3]
InChi Key
XWIYFDMXXLINPU-DENWKYDXSA-N
InChi Code
InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/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-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-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 2.8973 mL 14.4865 mL 28.9729 mL
5 mM 0.5795 mL 2.8973 mL 5.7946 mL
10 mM 0.2897 mL 1.4486 mL 2.8973 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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