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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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| References |
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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) |
DMSO: ≥ 200 mg/mL (~1058.2 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (26.46 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5 mg/mL (26.46 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 5 mg/mL (26.46 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (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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