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6-Chloro-1,3,5-triazine-2,4-diamine

Alias: 2-Chloro-4,6-diamino-1,3,5-triazine
6-Chloro-1,3,5-triazine-2,4-diamine (2-chloro-4,6-diamino-1,3,5-triazine) is a versatile synthetic organic compound that can be used as a catalyst.
6-Chloro-1,3,5-triazine-2,4-diamine
6-Chloro-1,3,5-triazine-2,4-diamine Chemical Structure CAS No.: 3397-62-4
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5g
10g
25g
50g
100g
Other Sizes

Other Forms of 6-Chloro-1,3,5-triazine-2,4-diamine:

  • 6-Chloro-1,3,5-triazine-2,4-diamine-13C3
Official Supplier of:
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Product Description
6-Chloro-1,3,5-triazine-2,4-diamine (2-Chloro-4,6-diamino-1,3,5-triazine) is a versatile synthetic organic compound that can be used as a catalyst.
6-Chloro-1,3,5-triazine-2,4-diamine (3397-62-4) is a chloro-substituted s-triazine derivative bearing two amino groups at positions 2 and 4. This compound serves as a versatile synthetic building block in organic chemistry, widely utilized as a catalyst and intermediate for the synthesis of more complex molecules. It exhibits significant thermal stability with a melting point exceeding 320degC. The compound is structurally related to 2,4-diamino-6-chloro-s-triazine (DACT) and is commercially available in solid form. Its molecular formula is C3H4ClN5 with a molecular weight of 145.55 g/mol.
Biological Activity I Assay Protocols (From Reference)
Targets
6-Chloro-1,3,5-triazine-2,4-diamine (3397-62-4) does not have a defined pharmacological target as it is primarily a synthetic reagent and catalyst. However, it is functionally related to 1,3,5-triazine-2,4-diamine and 2-chloro-1,3,5-triazine. The compound has been identified by the US Environmental Protection Agency (EPA) as 2,4-diamino-6-chloro-s-triazine (DACT), which can cause developmental toxicity and female reproductive toxicity. This toxicological profile suggests potential interactions with endocrine or developmental regulatory pathways.
ln Vitro
Not applicable as 6-Chloro-1,3,5-triazine-2,4-diamine (3397-62-4) is a synthetic reagent without established pharmacological activity. However, the compound has been reported by the EPA to exhibit developmental toxicity and female reproductive toxicity, suggesting some biological activity in mammalian systems. Related s-triazine herbicides and metabolites are known to interfere with endocrine function and hormonal regulation. Detailed IC50 or EC50 values for specific biological targets are not available in the literature for this compound.
ln Vivo
Not applicable as 6-Chloro-1,3,5-triazine-2,4-diamine (3397-62-4) is a synthetic reagent without documented in vivo activity. However, EPA toxicological assessments indicate that this compound (as DACT) possesses the potential to cause developmental toxicity and female reproductive toxicity in animal models. Studies on structurally similar triazine compounds have demonstrated endocrine-disrupting effects including altered estrous cycling, reduced fertility, and developmental abnormalities in offspring following gestational exposure. Detailed animal model information is not publicly available for this specific compound.
Enzyme Assay
Not applicable as 6-Chloro-1,3,5-triazine-2,4-diamine (3397-62-4) is a synthetic reagent without reported receptor binding assays. For general binding studies applicable to triazine compounds, typical protocols involve radioligand binding assays using membrane preparations containing relevant receptors (e.g., estrogen receptor, androgen receptor). Binding reactions are incubated at room temperature or 4degC for 1-16 hours, followed by filtration through glass fiber filters or centrifugation to separate bound from free ligand. Nonspecific binding is determined using excess cold ligand.
Cell Assay
Not applicable as 6-Chloro-1,3,5-triazine-2,4-diamine (3397-62-4) is a synthetic reagent without reported cell-based activity. For general cell viability studies applicable to triazine compounds, standard protocols involve culturing mammalian cells (e.g., HepG2, CHO, or MCF-7 cells) in appropriate growth medium (DMEM or RPMI with 10% FBS, 1% penicillin/streptomycin) at 37degC in 5% CO2. Cells are seeded in 96-well plates, treated with test compound for 24-72 hours, and viability assessed using MTT, XTT, or CellTiter-Glo assays.
Animal Protocol
Not applicable as 6-Chloro-1,3,5-triazine-2,4-diamine (3397-62-4) is a synthetic reagent without documented in vivo animal protocols. For reproductive and developmental toxicity studies potentially applicable to this compound, standard OECD test guidelines (e.g., OECD 415 for one-generation reproduction study or OECD 414 for prenatal developmental toxicity study) are typically followed. Rodents (rats or mice) receive test compound via oral gavage at multiple dose levels during gestation or throughout mating. Endpoints include maternal toxicity, fertility indices, litter size, pup viability, and offspring malformations.
ADME/Pharmacokinetics
Not applicable as 6-Chloro-1,3,5-triazine-2,4-diamine (3397-62-4) is a synthetic reagent without documented pharmacokinetic studies. For structurally related triazine compounds, typical PK properties include: moderate oral absorption, extensive hepatic metabolism via cytochrome P450 enzymes (particularly CYP1A2 and CYP3A4), plasma protein binding varying between 30-70%, elimination half-life ranging from several hours to days depending on the specific compound, and excretion primarily in urine as metabolites. Detailed human PK data for this specific compound are not available.
Toxicity/Toxicokinetics
According to the US Environmental Protection Agency (EPA), 6-Chloro-1,3,5-triazine-2,4-diamine (as 2,4-diamino-6-chloro-s-triazine, DACT) can cause developmental toxicity and female reproductive toxicity. The compound is classified as potentially hazardous. Safety precautions include storage in a cool, dry place away from incompatible materials. It may cause skin and eye irritation upon contact. The oral LD50 in rats has not been reported. Users should refer to the Safety Data Sheet (SDS) for comprehensive safety information prior to handling.
Additional Infomation
6-Chloro-1,3,5-triazine-2,4-diamine (3397-62-4) has a molecular formula of C3H4ClN5 and molecular weight of 145.55 g/mol. Its IUPAC name is 6-chloro-1,3,5-triazine-2,4-diamine. Additional synonyms include 2-chloro-4,6-diamino-1,3,5-triazine, chloroammeline, and AtraMod. The compound is typically stored at room temperature in a dry, well-ventilated area with protection from light and moisture. Purity specifications typically exceed 95% by HPLC. The product is classified as a biochemical assay reagent and organic synthesis catalyst.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C3H4CLN5
Molecular Weight
145.55
Exact Mass
145.016
CAS #
3397-62-4
Related CAS #
6-Chloro-1,3,5-triazine-2,4-diamine-13C3; 1216850-33-7
PubChem CID
18831
Appearance
White to off-white solid powder
Hydrogen Bond Donor Count
2
Rotatable Bond Count
0
Heavy Atom Count
9
Complexity
88.2
Defined Atom Stereocenter Count
0
SMILES
C1(=NC(=NC(=N1)Cl)N)N
InChi Key
FVFVNNKYKYZTJU-UHFFFAOYSA-N
InChi Code
InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
Chemical Name
6-chloro-1,3,5-triazine-2,4-diamine
Synonyms
2-Chloro-4,6-diamino-1,3,5-triazine
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

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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)
DMSO : ~40 mg/mL (~274.82 mM; with sonication (<60°C))
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 : 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).
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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 : PEG300:Tween 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 6.8705 mL 34.3525 mL 68.7049 mL
5 mM 1.3741 mL 6.8705 mL 13.7410 mL
10 mM 0.6870 mL 3.4352 mL 6.8705 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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