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| Other Sizes |
| Targets |
6-Chloropurine is a synthetic intermediate that does not have a specific biological target itself. Its importance lies in its use as a precursor for the synthesis of purine-based drugs. For example, it is used to synthesize 6-mercaptopurine, an antimetabolite that targets purine synthesis in cancer cells, and various nucleoside analogs that target viral polymerases.
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| ln Vitro |
In vitro, 6-Chloropurine is a chemical reagent. Its biological activity is not studied directly, as it is a precursor. However, its derivatives, such as 6-mercaptopurine and 6-thioguanine, are well-characterized for their antimetabolic activity in cancer cells. The compound itself is used in chemical reactions, and its purity and reactivity are characterized using techniques like HPLC and NMR.
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| ln Vivo |
The process by which 6-chloropurine transforms into S-(6-punnyl)glutathione and then further breaks down into 6-mercaptopurine could be a contributing factor to the anticancer activity of 6-chloropurine. [1]. 6-It has been demonstrated that when given together, chloropurine and diazaserine exhibit synergistic anticancer effects against a range of mice cancers [1].
In vivo, 6-Chloropurine is not a therapeutic agent. It is a chemical intermediate used in the manufacturing of drugs. The drugs derived from it, such as 6-mercaptopurine, are used in vivo to treat leukemia and other cancers. Therefore, the in vivo relevance of 6-Chloropurine is tied to the efficacy and safety of the final drug products. |
| Enzyme Assay |
The in vitro assay for 6-Chloropurine is not a biological assay. As a chemical intermediate, its identity and purity are confirmed by chromatographic techniques (HPLC, GC) and spectroscopic methods (NMR, MS). These assays ensure that the compound meets the specifications required for use in subsequent synthesis steps.
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| Cell Assay |
In vitro cell culture studies are not applicable to 6-Chloropurine, as it is not a drug or a research probe for biological pathways. It is strictly a chemical intermediate. Its derivatives are studied in cell culture, but the parent compound is not used in such experiments. Its application is in organic synthesis, not in cell biology.
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| Animal Protocol |
In vivo animal experiments are not performed with 6-Chloropurine. The drugs derived from it, such as 6-mercaptopurine, are tested in animal models of cancer. However, the intermediate itself is not administered to animals. It is used in the chemical synthesis of pharmaceutical ingredients, which are then formulated and tested.
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| ADME/Pharmacokinetics |
6-Chloropurine is a solid compound with a molecular weight of 154.56 g/mol. It is a stable compound that is stored at room temperature in a cool, dark place (<15°C). It is soluble in organic solvents like DMSO and ethanol. Its chemical properties, such as its reactivity at the 6-chloro position, make it a valuable intermediate for introducing various substituents into the purine ring.
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| Toxicity/Toxicokinetics |
Toxicological data for 6-Chloropurine are limited. As a chemical intermediate, it is not intended for human use. It may be an irritant and should be handled with care, using appropriate personal protective equipment. Its toxicity profile is not a primary focus, as it is not a final pharmaceutical product.
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| References |
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| Additional Infomation |
6-Chloro-1H-purine is a type of purine compound.
6-Chloropurine is a fundamental building block in medicinal chemistry. It is a key intermediate for the synthesis of a vast array of biologically active purine derivatives, including the anticancer drug 6-mercaptopurine and various antiviral agents. It is not a drug itself, but its role in the synthesis of clinically important pharmaceuticals makes it an essential compound in the pharmaceutical industry. |
| Molecular Formula |
C5H3CLN4
|
|---|---|
| Molecular Weight |
154.5571
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| Exact Mass |
154.004
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| CAS # |
87-42-3
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| PubChem CID |
5359277
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| Appearance |
Yellow to brown solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
449.6±25.0 °C at 760 mmHg
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| Melting Point |
>300 °C (dec.)(lit.)
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| Flash Point |
258.2±8.8 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.740
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| LogP |
0.13
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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 |
10
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| Complexity |
131
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ZKBQDFAWXLTYKS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
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| Chemical Name |
6-chloro-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 |
| 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 : ~27.5 mg/mL (~177.92 mM)
H2O : ~3 mg/mL (~19.41 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (17.79 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 27.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.75 mg/mL (17.79 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 27.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.75 mg/mL (17.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 2 mg/mL (12.94 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.4700 mL | 32.3499 mL | 64.6998 mL | |
| 5 mM | 1.2940 mL | 6.4700 mL | 12.9400 mL | |
| 10 mM | 0.6470 mL | 3.2350 mL | 6.4700 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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