| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
5-Bromo-2-fluoropyrimidine is used as a building block for the synthesis of reldesemitiv, a fast skeletal muscle troponin activator. The compound's biological activity is primarily through its use as a synthetic intermediate. It can undergo chemoselective amination at the C-2 position (C-F bond), while exhibiting no amination at the C-5 position (C-Br bond) in the presence of a Cu(II)/PTABS catalytic system.
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| ln Vitro |
In vitro, 5-bromo-2-fluoropyrimidine is primarily used as a chemical reagent and synthetic intermediate. It is an essential building block for synthesizing reldesemitiv, a fast skeletal muscle troponin activator. The compound can perform nucleophilic acid-catalyzed vicarious nucleophilic substitution at the 4- and 6-positions. As a polyhalogenated pyrimidine, it acts as a chemoselective amination substrate.
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| ln Vivo |
In vivo data for 5-bromo-2-fluoropyrimidine as a therapeutic agent are not available, as the compound is a synthetic intermediate. Its in vivo relevance is primarily indirect, through the biological activities of the final pharmaceutical compounds derived from its pyrimidine scaffold, such as reldesemitiv for the treatment of muscle diseases. Specific in vivo efficacy and pharmacokinetic data for the parent compound are not well-documented.
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| Enzyme Assay |
For in vitro chemical synthesis, 5-bromo-2-fluoropyrimidine is used as a building block for the synthesis of reldesemitiv and other compounds. Standard protocols involve chemoselective amination at the C-2 position using a Cu(II)/PTABS catalytic system. The compound can also undergo nucleophilic substitution at the 4- and 6-positions. The bromine and fluorine atoms provide orthogonal handles for selective functionalization.
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| Cell Assay |
For in vitro cell-based experiments, 5-bromo-2-fluoropyrimidine is not typically used directly in cell culture. It is a chemical intermediate used for organic synthesis. The compound may be used in the synthesis of compounds that are subsequently tested in cell-based assays, but it is not added directly to cell cultures as a test compound.
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| Animal Protocol |
In vivo animal studies using 5-bromo-2-fluoropyrimidine are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For muscle troponin activators like reldesemitiv derived from this building block, efficacy studies would typically be performed in mouse models of muscle disease. Standard in vivo protocols involve administration to rodents via oral gavage or intravenous injection, with measurement of muscle function and force generation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 5-bromo-2-fluoropyrimidine as a standalone compound are not characterized in the literature. The compound has a molecular weight of 176.98 g/mol, which is favorable for oral bioavailability. The fluorine atom may influence metabolic stability and lipophilicity. The bromine atom may be subject to oxidative debromination. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
5-Bromo-2-fluoropyrimidine is a research chemical and should be handled with appropriate laboratory safety precautions. As a halogenated compound, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
5-Bromo-2-fluoropyrimidine (CAS 62802-38-4) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for the synthesis of reldesemitiv, a fast skeletal muscle troponin activator for the treatment of muscle diseases, and as a reagent for chemoselective amination reactions. No clinical trials or approved indications exist for this compound.
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| Molecular Formula |
C4H2BRFN2
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|---|---|
| Molecular Weight |
176.97
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| Exact Mass |
175.938
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| CAS # |
62802-38-4
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| PubChem CID |
600690
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.8±0.1 g/cm3
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| Boiling Point |
270.8±32.0 °C at 760 mmHg
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| Melting Point |
90-93℃
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| Flash Point |
117.6±25.1 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.538
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| LogP |
1.02
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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 |
72.4
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC1=C([H])N=C(N=C1[H])F
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| InChi Key |
CTWZYPZCDJKBRS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H2BrFN2/c5-3-1-7-4(6)8-2-3/h1-2H
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| Chemical Name |
5-bromo-2-fluoropyrimidine
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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) |
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 | 5.6507 mL | 28.2534 mL | 56.5068 mL | |
| 5 mM | 1.1301 mL | 5.6507 mL | 11.3014 mL | |
| 10 mM | 0.5651 mL | 2.8253 mL | 5.6507 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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