| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
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| 10g |
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| Other Sizes |
| Targets |
Pyrimidine-5-boronic acid pinacol ester does not have a biological target as it is a synthetic reagent. Its function is chemical—it serves as a boronic ester building block for Suzuki-Miyaura cross-coupling reactions. When incorporated into pharmaceutical compounds, the pyrimidine scaffold can interact with biological targets through hydrogen bonding and π-π stacking.
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|---|---|
| ln Vitro |
As a chemical reagent, pyrimidine-5-boronic acid pinacol ester exhibits no intrinsic pharmacological activity in vitro. Its utility is demonstrated in Suzuki-Miyaura cross-coupling reactions as a building block for the synthesis of biaryl compounds and other complex molecules. The compound is used in the preparation of pharmaceuticals, agrochemicals, and functional materials.
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| ln Vivo |
Pyrimidine-5-boronic acid pinacol ester does not exhibit in vivo biological activity, as it is not a therapeutic agent. It is used as a research reagent for organic synthesis and drug discovery. Any in vivo effects would be associated with the final products synthesized from this intermediate.
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| Enzyme Assay |
In vitro assays for pyrimidine-5-boronic acid pinacol ester focus on its use as a synthetic intermediate. Standard characterization includes nuclear magnetic resonance (¹H NMR, ¹³C NMR, ¹¹B NMR) and mass spectrometry to confirm structure and purity. For Suzuki-Miyaura coupling reactions, typical conditions involve reacting the compound with aryl halides in the presence of a palladium catalyst and a base.
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| Cell Assay |
Cell-based experiments are not performed with pyrimidine-5-boronic acid pinacol ester, as it is a chemical reagent. When used to synthesize drug candidates, those products may be tested in cell culture.
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| Animal Protocol |
In vivo animal studies are not conducted with pyrimidine-5-boronic acid pinacol ester. When used to synthesize drug candidates, those final products undergo standard preclinical evaluation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of pyrimidine-5-boronic acid pinacol ester are not characterized, as it is not a drug substance. The compound is not intended for human exposure.
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| Toxicity/Toxicokinetics |
Pyrimidine-5-boronic acid pinacol ester may cause skin and eye irritation. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves, safety glasses, and working in a fume hood.
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| Additional Infomation |
Pyrimidine-5-boronic acid pinacol ester is a critical building block for Suzuki-Miyaura cross-coupling reactions. It is used in organic synthesis and drug discovery. It has not undergone clinical trials and is not approved as a pharmaceutical.
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| Molecular Formula |
C10H15BN2O2
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|---|---|
| Molecular Weight |
206.05
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| Exact Mass |
206.122
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| CAS # |
321724-19-0
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| PubChem CID |
4192667
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
308.9±15.0 °C at 760 mmHg
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| Melting Point |
60-66°C
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| Flash Point |
140.6±20.4 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.488
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| LogP |
0.775
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
15
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| Complexity |
224
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1(C)C(C)(C)OB(C2=CN=CN=C2)O1
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| InChi Key |
WSRGGSAGSUEJKQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-12-7-13-6-8/h5-7H,1-4H3
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| Chemical Name |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
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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 | 4.8532 mL | 24.2660 mL | 48.5319 mL | |
| 5 mM | 0.9706 mL | 4.8532 mL | 9.7064 mL | |
| 10 mM | 0.4853 mL | 2.4266 mL | 4.8532 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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