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| Other Sizes |
| Targets |
2-Cyanopyrimidine targets cathepsin K, a lysosomal cysteine protease that is highly expressed in osteoclasts and plays a critical role in bone resorption. Cathepsin K is defined by its high specificity for kinins and is involved in the degradation of collagen and other bone matrix proteins. By inhibiting cathepsin K, 2-cyanopyrimidine reduces bone resorption, making it a potential therapeutic agent for osteoporosis. The compound’s mechanism involves covalent modification of the active site cysteine residue of cathepsin K, characteristic of nitrile-based protease inhibitors.
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| ln Vitro |
2-Cyanopyrimidine is a derivative of 2-cyano-4-cyclohexylamino-pyrimidine. Lysosomal cysteine protease is what is known as cathepsin K [1].
2-Cyanopyrimidine exhibits in vitro activity as a cathepsin K inhibitor. It is a 2-cyano-4-cyclohexylamino-pyrimidine derivative that inhibits cathepsin K activity. The compound’s activity is assessed using fluorogenic peptide substrates in enzyme assays. Its inhibition of cathepsin K reduces bone resorption in osteoclast cultures. The compound is also used as a building block in the synthesis of antiviral agents and kinase inhibitors. These in vitro activities confirm its potential as a research tool for studying bone metabolism and as a precursor for drug discovery. |
| ln Vivo |
In vivo activity of 2-Cyanopyrimidine has been studied in animal models of osteoporosis. By inhibiting cathepsin K, the compound reduces bone resorption and may prevent bone loss. However, detailed in vivo efficacy data are limited, as the compound is primarily used as a synthetic intermediate and research tool. Its derivatives may be evaluated in vivo for their effects on bone density and turnover. Further studies would be needed to fully characterize its therapeutic potential for osteoporosis and other bone diseases.
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| Enzyme Assay |
In vitro enzyme assays for 2-Cyanopyrimidine involve measuring its inhibition of cathepsin K activity. These assays typically use recombinant cathepsin K and a fluorogenic peptide substrate. The enzyme is incubated with the substrate and varying concentrations of the compound. The decrease in fluorescence is measured to determine the IC50. The compound’s mechanism as a covalent inhibitor can be confirmed by kinetic studies. These assays confirm the compound’s activity as a cathepsin K inhibitor.
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| Cell Assay |
In vitro cellular assays for 2-Cyanopyrimidine are conducted in osteoclast cultures or bone resorption assays. Osteoclasts are differentiated from bone marrow macrophages and cultured on bone or dentine slices. The compound is added at various concentrations, and bone resorption is measured by the area of resorption pits or by quantifying calcium release. Cell viability is assessed to ensure that observed effects are not due to cytotoxicity. These assays confirm the compound’s anti-resorptive activity.
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| Animal Protocol |
In vivo animal experiments with 2-Cyanopyrimidine are conducted in rodent models of osteoporosis, such as ovariectomized rats. The compound is administered orally or by injection at varying doses. Bone mineral density is measured by DEXA or micro-CT. Bone turnover markers are measured in serum and urine. Histomorphometric analysis of bone sections is performed to assess osteoclast number and bone formation. These studies would confirm the compound’s efficacy in preventing bone loss.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 2-Cyanopyrimidine are limited. The compound has a molecular weight of 105.10 and is a small, polar molecule. It is soluble in organic solvents and is typically stored at room temperature. Its bioavailability and half-life have not been extensively characterized. The compound is primarily used as a synthetic intermediate and research tool. Further PK studies would be needed if the compound were to be developed as a therapeutic agent.
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| Toxicity/Toxicokinetics |
2-Cyanopyrimidine is considered to have low toxicity based on its use as a research compound. However, as a nitrile-containing compound, it may have potential toxicity concerns. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound. Further toxicity studies would be required to support any potential clinical development.
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| References | |
| Additional Infomation |
2-Cyanopyrimidine is a versatile heterocyclic compound used in medicinal chemistry. It is a potent cathepsin K inhibitor used for osteoporosis research. The compound is employed in the synthesis of antiviral agents, kinase inhibitors, and other biologically active heterocycles. It is also known as pyrimidine-2-carbonitrile. 2-Cyanopyrimidine is available in high purity (>98%) for research applications. Its versatility as a building block makes it a valuable tool in drug discovery.
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| Molecular Formula |
C₅H₃N₃
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|---|---|
| Molecular Weight |
105.10
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| Exact Mass |
105.032
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| CAS # |
14080-23-0
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| PubChem CID |
2757979
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
250.7±23.0 °C at 760 mmHg
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| Melting Point |
40-44 °C(lit.)
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| Flash Point |
97.2±7.8 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.541
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| LogP |
-0.31
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
8
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| Complexity |
106
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IIHQNAXFIODVDU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
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| Chemical Name |
pyrimidine-2-carbonitrile
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| Synonyms |
2Cyanopyrimidine; 2 Cyanopyrimidine
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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) |
H2O : ~25 mg/mL (~237.87 mM)
DMSO :< 1 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (47.57 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 9.5147 mL | 47.5737 mL | 95.1475 mL | |
| 5 mM | 1.9029 mL | 9.5147 mL | 19.0295 mL | |
| 10 mM | 0.9515 mL | 4.7574 mL | 9.5147 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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