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| Other Sizes |
| Targets |
2,6-Dichloropurine does not have a direct pharmacological target as it is a synthetic intermediate. However, it is used in the synthesis of 2,6-diamino-substituted purine derivatives that act as potential cardiomyogenesis inducing agents. As a purine scaffold, derivatives of this compound may target various enzymes involved in nucleic acid metabolism, including kinases, polymerases, and other purine-related enzymes. The compound provides a structural basis for designing novel drug candidates.
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| ln Vitro |
No direct in vitro pharmacological activity data are available for 2,6-dichloropurine as it is a synthetic intermediate rather than a drug. Its biological relevance comes from its conversion to bioactive purine derivatives. The compound is used as a fragment molecule for molecular linking and modification in drug discovery research. In research settings, it serves as a building block for synthesizing libraries of purine-based compounds for screening against various biological targets.
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| ln Vivo |
No in vivo pharmacological activity data exist for 2,6-dichloropurine itself as it is a chemical intermediate. The compound is not administered directly to animals for pharmacological evaluation. Its derivatives, such as 2,6-diamino-substituted purines, have been studied for cardiomyogenesis-inducing activity. The compound is used in pharmaceutical manufacturing to produce active drug candidates that are subsequently tested in animal models.
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| Enzyme Assay |
For non-cellular assays, 2,6-dichloropurine is characterized by standard analytical techniques including HPLC, neutralization titration, and NMR to confirm identity and purity. The compound can be evaluated as a substrate or intermediate in enzymatic reactions involving purine metabolism. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction mixtures by chromatographic methods. Purity is determined by HPLC (≥97.0 area%) and neutralization titration (≥97.0%).
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| Cell Assay |
2,6-Dichloropurine is not typically used in direct cell-based assays as it is a synthetic intermediate. If evaluated, the compound would be dissolved in DMSO or appropriate solvent and diluted in cell culture medium. However, such studies are uncommon as the compound is used primarily as a building block for synthesizing bioactive purine derivatives rather than as a test compound itself. The compound is handled in chemistry laboratories for organic synthesis applications.
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| Animal Protocol |
2,6-Dichloropurine is not administered directly in animal studies as it is a chemical intermediate. The compound is used in pharmaceutical manufacturing to produce active drug candidates that are subsequently evaluated in animal models. Storage: 2-8°C in a refrigerator. The compound should be kept in a cool, dry place protected from light. Shipping conditions: ambient temperature. Standard handling procedures for chemical intermediates should be followed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for 2,6-dichloropurine as it is a synthetic intermediate rather than a drug. The compound has a molecular weight of 189, pKa of 5.22±0.20, and is soluble in water. It appears as a white to light yellow crystal powder. Storage: 2-8°C. The compound has a BR number of 9354. Purity: ≥97.0% by HPLC and neutralization titration. Shipping: ambient temperature.
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| Toxicity/Toxicokinetics |
Toxicological data for 2,6-dichloropurine indicate it is harmful and irritant. GHS signal word: Danger. Hazard statements: H301 (toxic if swallowed). Precautionary statements: P264, P270, P301+P310, P405, P501. Hazard codes: Xn (harmful), Xi (irritant). Risk statements: R36/37/38 (irritating to eyes, respiratory system, and skin), R22 (harmful if swallowed). Safety statements: S22 (do not breathe dust), S24/25 (avoid contact with skin and eyes), S37/39 (wear suitable gloves and eye/face protection), S26, S36. RIDADR: UN2811, WGK Germany: 3.
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| Additional Infomation |
2,6-Dichloropurine (CAS 5451-40-1) is an important pharmaceutical intermediate for purine nucleosides and nucleotides. It is also known as 2,6DCP or DCP and serves as a fragment molecule scaffold for molecular linking and modification in drug discovery. The compound is used in the synthesis of 2,6-diamino-substituted purine derivatives as potential cardiomyogenesis inducing agents. No clinical trials or therapeutic approvals exist for this intermediate compound.
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| Molecular Formula |
C5H2CL2N4
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|---|---|
| Molecular Weight |
189.00
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| Exact Mass |
187.965
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| CAS # |
5451-40-1
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| PubChem CID |
5324412
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| Appearance |
White to light yellow solid powder
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| Density |
1.8±0.1 g/cm3
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| Boiling Point |
405.4±27.0 °C at 760 mmHg
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| Melting Point |
185-195 °C (dec.)(lit.)
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| Flash Point |
231.3±9.3 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.742
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| LogP |
1.01
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
11
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| Complexity |
155
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2
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| InChi Key |
RMFWVOLULURGJI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
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| Chemical Name |
2,6-dichloro-7H-purine
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| 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
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2910 mL | 26.4550 mL | 52.9101 mL | |
| 5 mM | 1.0582 mL | 5.2910 mL | 10.5820 mL | |
| 10 mM | 0.5291 mL | 2.6455 mL | 5.2910 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.
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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