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| Other Sizes |
| Targets |
Not applicable (chemical reagent). 1-(Tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester is a chemical reagent used in organic synthesis. It does not have a specific biological target. The compound is used as a building block in Suzuki-Miyaura cross-coupling reactions to form carbon-carbon bonds. Its biological effects, if any, would be related to the compounds synthesized from it rather than the reagent itself.
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| ln Vitro |
1-(Tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester is a chemical reagent used in organic synthesis. It participates in Suzuki-Miyaura cross-coupling reactions to form pyrazole-containing biaryl compounds. It is used as a building block for the synthesis of pharmaceuticals, agrochemicals, and other bioactive compounds. As a chemical reagent, it does not have direct in vitro biological activity.
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| ln Vivo |
In vivo studies of 1-(tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester are not applicable as the compound is a chemical reagent rather than a pharmacologically active compound. It is used in organic synthesis to produce bioactive compounds that may be evaluated in vivo. The compound itself is not administered to animals for therapeutic or pharmacological studies.
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| Enzyme Assay |
Non-cell-based assays for 1-(tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester are primarily analytical in nature. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization and purity assessment. The compound is used as a reactant in Suzuki-Miyaura cross-coupling reactions, and its reactivity and coupling efficiency are assessed using standard organic chemistry methods.
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| Cell Assay |
Cell-based assays for 1-(tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester are not commonly performed, as the compound is a chemical reagent rather than a pharmacologically active compound. Compounds synthesized using this reagent may be tested in cell-based assays, but the reagent itself is not typically used in cell culture applications.
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| Animal Protocol |
In vivo animal studies for 1-(tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester are not applicable as the compound is a chemical reagent rather than a pharmacologically active compound. It is used in organic synthesis to produce compounds that may be evaluated in animal models.
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| ADME/Pharmacokinetics |
1-(Tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester has a molecular formula of C₁₄H₂₃BN₂O₃ and a molecular weight of approximately 278.16 g/mol. The CAS number is 903550-26-5. It contains a pyrazole ring with a THP protecting group and a boronic acid pinacol ester functionality. The compound is used as a building block in Suzuki-Miyaura cross-coupling reactions. It should be stored under recommended conditions. It is intended for research use only.
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| Toxicity/Toxicokinetics |
Specific toxicity data for 1-(tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester are limited. As a chemical reagent, it may cause irritation to the skin, eyes, and respiratory tract. Standard laboratory safety practices should be followed when handling this compound, including the use of personal protective equipment. It is intended for research use only.
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| Additional Infomation |
1-(Tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester is a boronic ester compound used as a building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Boronic esters are important intermediates in the synthesis of biaryl compounds, which are common structural motifs in pharmaceuticals, agrochemicals, and materials. The THP protecting group provides stability during synthesis and can be removed under mild acidic conditions. The compound is for research use only.
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| Molecular Formula |
C14H23BN2O3
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|---|---|
| Molecular Weight |
278.16
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| Exact Mass |
278.18
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| CAS # |
903550-26-5
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| PubChem CID |
11587208
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
413.8±35.0 °C at 760 mmHg
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| Melting Point |
76 °C
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| Flash Point |
204.1±25.9 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.545
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| LogP |
1.881
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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 |
2
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| Heavy Atom Count |
20
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| Complexity |
348
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1N(C2CCCCO2)C(B2OC(C)(C)C(C)(C)O2)=CC=1
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| InChi Key |
ZZRFDLHBMBHJTI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12/h8-9,12H,5-7,10H2,1-4H3
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| Chemical Name |
1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
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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, avoid exposure to moisture. |
| 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 | 3.5951 mL | 17.9753 mL | 35.9505 mL | |
| 5 mM | 0.7190 mL | 3.5951 mL | 7.1901 mL | |
| 10 mM | 0.3595 mL | 1.7975 mL | 3.5951 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.
Products are for research use only; We do not sell to patients
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