| Size | Price | Stock | Qty |
|---|---|---|---|
| 250g |
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| Other Sizes |
| Targets |
Amino-3,5-dibromopyrazine is used in the preparation of rho kinase (ROCK) inhibitors. ROCK is a serine/threonine kinase that plays a key role in the regulation of the actin cytoskeleton and is involved in various cellular processes including cell migration, proliferation, and apoptosis. The compound does not have a direct pharmacological target but serves as a building block for ROCK inhibitors.
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|---|---|
| ln Vitro |
In vitro, amino-3,5-dibromopyrazine is primarily used as a chemical reagent and synthetic intermediate. It is used in the preparation of conjugated polymers for neurotoxin detection and as an intermediate in the preparation of ROCK inhibitors. As a highly functionalized, electron-deficient heteroaromatic building block, it is essential for the synthesis of complex pyrazine-based therapeutics, kinase inhibitors, and advanced materials.
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| ln Vivo |
In vivo activity data for amino-3,5-dibromopyrazine itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of ROCK inhibitors and other drug candidates that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from its dibromopyrazine scaffold.
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| Enzyme Assay |
For in vitro chemical synthesis, amino-3,5-dibromopyrazine is used as a building block for the preparation of various compounds. The bromine atoms at positions 3 and 5 provide handles for selective cross-coupling reactions such as Suzuki-Miyaura couplings. The amino group can be acylated, alkylated, or converted to other functional groups. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions, such as using palladium catalysts for cross-coupling reactions.
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| Cell Assay |
For in vitro cell-based experiments, amino-3,5-dibromopyrazine is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using amino-3,5-dibromopyrazine are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For ROCK inhibitors derived from this building block, efficacy studies would typically be performed in mouse models of cardiovascular diseases, neurological disorders, or cancer. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate pharmacokinetic and pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of amino-3,5-dibromopyrazine as a standalone compound are not characterized in the literature. The compound has a molecular weight of 252.90 g/mol, which may limit oral bioavailability. The bromine atoms may influence metabolic stability and lipophilicity. The amino group may be subject to metabolic conjugation. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
Amino-3,5-dibromopyrazine is a research chemical and should be handled with appropriate laboratory safety precautions. As a brominated compound, it may cause skin and eye irritation. The compound should be stored at room temperature in a cool, dark place below 15°C. It is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values and acute toxicity classifications are not available in the public literature.
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| Additional Infomation |
Amino-3,5-dibromopyrazine (2-Amino-3,5-dibromopyrazine) (CAS 24241-18-7) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are in the preparation of ROCK inhibitors, in the synthesis of conjugated polymers for neurotoxin detection, and as a building block for complex pyrazine-based therapeutics and advanced materials. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C4H3BR2N3
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|---|---|
| Molecular Weight |
252.89
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| Exact Mass |
250.869
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| CAS # |
24241-18-7
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| PubChem CID |
620004
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| Appearance |
Off-white to yellow solid powder
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| Density |
2.3±0.1 g/cm3
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| Boiling Point |
294.6±35.0 °C at 760 mmHg
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| Melting Point |
114-117 °C(lit.)
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| Flash Point |
131.9±25.9 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.686
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| LogP |
3.05
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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 |
9
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| Complexity |
99.8
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC1C(N)=NC=C(N=1)Br
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| InChi Key |
DTLBKXRFWUERQN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
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| Chemical Name |
3,5-dibromopyrazin-2-amine
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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: 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)
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| Solubility (In Vitro) |
DMSO: ≥ 100 mg/mL (~395.4 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (19.77 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 2: ≥ 5 mg/mL (19.77 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 | 3.9543 mL | 19.7714 mL | 39.5429 mL | |
| 5 mM | 0.7909 mL | 3.9543 mL | 7.9086 mL | |
| 10 mM | 0.3954 mL | 1.9771 mL | 3.9543 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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