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Sulfamethazine-D4

Cat No.:V40273 Purity: ≥98%
Sulfamethazine-d4 is the deuterium labelled form of Sulfamethazine (Sulfadimidine).
Sulfamethazine-D4
Sulfamethazine-D4 Chemical Structure CAS No.: 1020719-82-7
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
Other Sizes

Other Forms of Sulfamethazine-D4:

  • Sulfamethazine
  • Sulfamethazine sodium (Sulfamethazine sodium; Sulfadimidine sodium; Sulfadimerazine sodium)
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Sulfamethazine-d4 is the deuterium labelled form of Sulfamethazine (Sulfadimidine). Sulfamethazine is an antibiotic that may be used to be utilized in the research on a variety of animal diseases, like gastrointestinal and respiratory infections.
Sulfamethazine-D4 (Sulfadimidine-D4) is a deuterium-labeled form of the sulfonamide antibiotic Sulfamethazine. It is intended for use as an internal standard for the quantification of sulfamethazine by GC- or LC-MS in analytical method development and quality control applications. The compound has a molecular weight of 282.35 g/mol and a molecular formula of C₁₂H₁₀D₄N₄O₂S.
Biological Activity I Assay Protocols (From Reference)
Targets
Sulfamethazine-D4 targets the same enzyme as its unlabeled parent drug. Sulfamethazine is a sulfonamide antibiotic that inhibits bacterial synthesis of dihydrofolic acid by competing with para-aminobenzoic acid (PABA) for binding to dihydropteroate synthase (DHPS; IC₅₀ = 5.7 µM for the T. gondii enzyme).
ln Vitro
Sulfamethazine-D4 is primarily used as an analytical internal standard rather than for its pharmacological activity. Sulfamethazine is a broad-spectrum bacteriostatic agent that is similar in structure to PABA. It can compete with PABA to act on the difolate synthase in bacteria, thereby preventing PABA from being used as a raw material.
ln Vivo
Sulfamethazine-D4 is used in pharmacokinetic studies as an internal standard for the quantification of Sulfamethazine. Sulfamethazine is an antimicrobial used to treat and prevent various animal diseases, such as gastrointestinal and respiratory tract infections. The deuterium-labeled compound can be co-administered with unlabeled drug to study absorption, distribution, metabolism, and excretion.
Enzyme Assay
In vitro enzyme assays for Sulfamethazine-D4 are typically performed as part of analytical method validation. The compound is used as an internal standard in LC-MS/MS assays for the quantification of Sulfamethazine. It is dissolved in an appropriate solvent and spiked into biological matrices at known concentrations. Calibration curves are generated by plotting the peak area ratio of Sulfamethazine to Sulfamethazine-D4 against the concentration of Sulfamethazine.
Cell Assay
For in vitro cell-based assays, Sulfamethazine-D4 can be used in studies investigating Sulfamethazine's antibacterial effects, though its primary use is as an analytical internal standard. Bacterial cultures are treated with the compound, and bacterial growth is monitored. However, due to its role as an internal standard, it is more frequently used in the analytical quantification of the parent drug from cell culture supernatants.
Animal Protocol
In vivo animal studies with Sulfamethazine-D4 are primarily pharmacokinetic. The compound is administered orally to rodents, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Sulfamethazine are analyzed by LC-MS/MS using Sulfamethazine-D4 as the internal standard. Pharmacodynamic effects can be evaluated in infection models.
ADME/Pharmacokinetics
Sulfamethazine-D4 (CAS: 1020719-82-7) has a molecular weight of 282.35 g/mol and a molecular formula of C₁₂H₁₀D₄N₄O₂S. Appearance: White to off-white solid powder. Storage: Store at -20°C. Solubility: For obtaining a higher solubility, please warm the tube at 37 °C and shake it in the ultrasonic bath.
Toxicity/Toxicokinetics
As a deuterium-labeled analog of a sulfonamide antibiotic, Sulfamethazine-D4 is expected to have a similar toxicity profile to Sulfamethazine, though toxicity studies are typically not performed on the labeled compound. Sulfonamides are generally well-tolerated but can cause allergic reactions and gastrointestinal disturbances. The compound is used in very small quantities as an analytical internal standard and does not pose significant toxicity risks under normal handling.
References

[1]. Pharmacokinetics and Tissue Residues of Sulfathiazole and Sulfamethazine in Pigs. J Food Prot. 1994 Sep;57(9):796-801.

[2]. Production of chicken yolk IgY to sulfamethazine: comparison with rabbit antiserum IgG. Food and Agricultural Immunology. 2015, 26(3):305-316.

Additional Infomation
Sulfamethazine-D4 (Sulfadimidine-D4) is a deuterium-labeled form of Sulfamethazine, a sulfonamide antibiotic. It is intended for use as an internal standard for the quantification of sulfamethazine by GC- or LC-MS. Sulfamethazine is an antimicrobial used to treat and prevent various animal diseases. It is not intended for therapeutic use and is for research and analytical use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C12H10D4N4O2S
Molecular Weight
282.35
Exact Mass
278.084
CAS #
1020719-82-7
Related CAS #
Sulfamethazine;57-68-1;Sulfamethazine sodium;1981-58-4
PubChem CID
45040438
Appearance
White to off-white solid powder
Melting Point
200-201°C
LogP
3.211
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Heavy Atom Count
19
Complexity
377
Defined Atom Stereocenter Count
0
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=NC(=CC(=N2)C)C)[2H]
InChi Key
ASWVTGNCAZCNNR-LNFUJOGGSA-N
InChi Code
InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)/i3D,4D,5D,6D
Chemical Name
4-amino-2,3,5,6-tetradeuterio-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
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 3.5417 mL 17.7085 mL 35.4170 mL
5 mM 0.7083 mL 3.5417 mL 7.0834 mL
10 mM 0.3542 mL 1.7709 mL 3.5417 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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