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| Other Sizes |
| Targets |
5-Bromo-2-chloropyrimidine does not have a defined pharmacological target of its own, as it is a synthetic intermediate. It is an intermediate in the synthesis of pharmaceutical goods such as inhibitors. The compound's halogenated pyrimidine scaffold provides multiple handles for functionalization, making it valuable for the synthesis of various biologically active compounds.
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| ln Vitro |
utilized as pharmaceutical intermediates in the production of inhibitors and other drugs. Additionally, it is employed in the cross-coupling process between 2,5-dihalopyrimidines and indium organometallic compounds.
In vitro, 5-bromo-2-chloropyrimidine is primarily used as a chemical reagent and synthetic intermediate. It is widely used as a versatile intermediate in medicinal and pharmaceutical chemistry. The compound is ideal for advanced research in drug discovery, agrochemicals, and heterocyclic scaffold development. As a halogenated pyrimidine, it is a common building block for the construction of drug-like molecules. |
| ln Vivo |
In vivo activity data for 5-bromo-2-chloropyrimidine 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 drug candidates, such as inhibitors, 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 pyrimidine scaffold.
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| Enzyme Assay |
For in vitro chemical synthesis, 5-bromo-2-chloropyrimidine is used as a building block for the preparation of various compounds. The bromine and chlorine atoms provide orthogonal handles for selective cross-coupling reactions. Standard protocols involve reacting the compound with appropriate coupling partners (boronic acids, amines) in the presence of a catalyst and a base. The compound is used in the synthesis of pharmaceutical inhibitors and other bioactive molecules.
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| Cell Assay |
For in vitro cell-based experiments, 5-bromo-2-chloropyrimidine 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 5-bromo-2-chloropyrimidine are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For inhibitors and other pharmaceutical candidates derived from this building block, efficacy studies would typically be performed in mouse models of the relevant disease. 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 5-bromo-2-chloropyrimidine as a standalone compound are not characterized in the literature. The compound has a molecular weight of 193.43 g/mol, which is within the favorable range for oral bioavailability. The halogen atoms may influence metabolic stability and lipophilicity. The compound should be stored at room temperature in a cool and dark place, preferably below 15°C.
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| Toxicity/Toxicokinetics |
5-Bromo-2-chloropyrimidine 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 should be stored at room temperature in a cool and dark place, preferably below 15°C. 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.
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| Additional Infomation |
5-Bromo-2-chloropyrimidine (CAS 32779-36-5) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a versatile intermediate in medicinal and pharmaceutical chemistry for drug discovery, agrochemicals, and heterocyclic scaffold development. The compound is an intermediate in the synthesis of pharmaceutical inhibitors. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C4H2BRCLN2
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|---|---|
| Molecular Weight |
193.43
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| Exact Mass |
191.908
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| CAS # |
32779-36-5
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| PubChem CID |
606665
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.9±0.1 g/cm3
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| Boiling Point |
291.6±13.0 °C at 760 mmHg
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| Melting Point |
76-81 °C(lit.)
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| Flash Point |
130.1±19.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.588
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| LogP |
1.36
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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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 |
C1=C(Br)C=NC(=N1)Cl
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| InChi Key |
XPGIBDJXEVAVTO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H
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| Chemical Name |
5-bromo-2-chloropyrimidine
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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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 5.1698 mL | 25.8491 mL | 51.6983 mL | |
| 5 mM | 1.0340 mL | 5.1698 mL | 10.3397 mL | |
| 10 mM | 0.5170 mL | 2.5849 mL | 5.1698 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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