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Glyphosate-13C2,15N (Glyphosate-13C2,15N)

Cat No.:V64120 Purity: ≥98%
Glyphosate-13C2,15N is 13C (carbon 13) and 15N (nitrogen 15) labelled Glyphosate (A16).
Glyphosate-13C2,15N (Glyphosate-13C2,15N)
Glyphosate-13C2,15N (Glyphosate-13C2,15N) Chemical Structure CAS No.: 1185107-63-4
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
1mg
Other Sizes

Other Forms of Glyphosate-13C2,15N (Glyphosate-13C2,15N):

  • N-Nitrosoglyphosate sodium (N-Nitroso-N-(phosphonoMethyl)glycine sodium; Glyphosate-N-nitroso sodium)
  • Glyphosate-d2-1 (glyphosate-d2-1)
  • Glyphosate isopropylammonium
  • Glyphosate-13C,15N
  • Glyphosate
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Glyphosate-13C2,15N is 13C (carbon 13) and 15N (nitrogen 15) labelled Glyphosate (A16). Glyphosate is an herbicidal analogue of the amino acid (AA) glycine. Glyphosate targets and blocks a plant metabolic pathway not found in animals, the shikimate pathway, which is required for plants to synthesize aromatic amino acid (AA)s.
Glyphosate-13C2,15N is an isotopically labeled form of the herbicide glyphosate, enriched with carbon-13 and nitrogen-15. Its molecular formula is (13C)C2H8(15N)O5P with a molecular weight of 172.05 g/mol. Glyphosate is an amino acid (AA) herbicide analog of glycine. Glyphosate targets and blocks a plant metabolic pathway not found in animals, the shikimate pathway, which is essential for plants to synthesize aromatic amino acids (AA). Glyphosate-13C2,15N is essential for studying the absorption, translocation, and degradation pathways of glyphosate in plants and soil. It can be used for analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Glyphosate.
Biological Activity I Assay Protocols (From Reference)
Targets
Glyphosate-13C2,15N targets the same biological target as glyphosate, which is the shikimate pathway in plants. Specifically, glyphosate inhibits the enzyme 5-enolpyruvylshikimate-3-phosphate synthase (EPSPS), which is essential for the synthesis of aromatic amino acids in plants. This pathway is not found in animals, making glyphosate selectively toxic to plants.
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 [2].
Glyphosate-13C2,15N is an isotopically labeled form of the herbicide glyphosate. As a labeled analog, it exhibits the same herbicidal activity as unlabeled glyphosate. Its in vitro activity can be assessed by measuring the inhibition of EPSPS enzyme activity in plant extracts.
ln Vivo
Glyphosate-13C2,15N exhibits the same in vivo herbicidal activity as glyphosate. It is absorbed by plants and translocated to growing points, where it inhibits the shikimate pathway, leading to the depletion of aromatic amino acids and plant death. As a labeled compound, it is primarily used to study the absorption, translocation, and degradation pathways of glyphosate in plants and soil.
Enzyme Assay
The inhibition of EPSPS by Glyphosate-13C2,15N can be assessed using an in vitro enzyme assay. Plant EPSPS enzyme is incubated with its substrate, phosphoenolpyruvate (PEP), and shikimate-3-phosphate (S3P) in the presence of varying concentrations of the compound. The production of EPSP is measured, and the IC50 is determined.
Cell Assay
Glyphosate-13C2,15N is used in plant cell culture to study the effects of glyphosate on plant metabolism. Plant cells are treated with the labeled compound, and the incorporation of 13C and 15N into metabolic products is analyzed by mass spectrometry to study the shikimate pathway and glyphosate's mode of action.
Animal Protocol
Glyphosate-13C2,15N is used in plant and soil studies to track the absorption, translocation, and degradation of glyphosate. Plants are treated with the labeled herbicide, and the distribution of 13C and 15N in plant tissues and soil is analyzed by mass spectrometry to study the fate of glyphosate in the environment.
ADME/Pharmacokinetics
Glyphosate-13C2,15N has a molecular weight of 172.05 g/mol and a molecular formula of (13C)C2H8(15N)O5P. The compound has a minimum purity of 98.00% and a minimum isotopic enrichment of 99% 13C and 98% 15N. It is classified as a hazardous substance and may require additional shipping fees.
Toxicity/Toxicokinetics
Toxicological data for Glyphosate-13C2,15N are not extensively detailed, as it is a research compound. Glyphosate itself is classified as a hazardous substance. The compound 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]. Evaluation of carcinogenic potential of the herbicide glyphosate, drawing on tumor incidence data from fourteen chronic/carcinogenicity rodent studies. Crit Rev Toxicol. 2015;45(3):185-208.

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

Additional Infomation
Glyphosate-13C2,15N is a research-grade compound used for studying the absorption, translocation, and degradation pathways of glyphosate in plants and soil. Its 13C and 15N labeling enables the precise tracking of glyphosate in environmental and agricultural research. The compound is also used for analytical method development and quality control applications. It 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
C13C2H815NO5P
Molecular Weight
172.05
Exact Mass
172.017
CAS #
1185107-63-4
Related CAS #
Glyphosate;1071-83-6
PubChem CID
46780452
Appearance
White to off-white solid powder
Density
1.7±0.1 g/cm3
Melting Point
>270°C (dec.) (lit.)
Index of Refraction
1.529
LogP
-4.6
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Heavy Atom Count
10
Complexity
162
Defined Atom Stereocenter Count
0
SMILES
C([15NH][13CH2][13C](=O)O)P(=O)(O)O
InChi Key
XDDAORKBJWWYJS-QZJDPFNNSA-N
InChi Code
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/i1+1,3+1,4+1
Chemical Name
2-(phosphonomethyl(15N)amino)acetic acid
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 5.8123 mL 29.0613 mL 58.1226 mL
5 mM 1.1625 mL 5.8123 mL 11.6245 mL
10 mM 0.5812 mL 2.9061 mL 5.8123 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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