| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
Propylboronic acid does not have a defined pharmacological target as it is a chemical reagent and synthetic intermediate. The compound is a primary alkylboronic acid, a class of organoboron compounds defined by a trivalent boron center bonded to an alkyl substituent and two hydroxyl groups. It is used in the synthesis of pharmaceutical agents such as inhibitors of mTOR for use in anti-tumor treatments. Its primary function is as a building block for organic synthesis.
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|---|---|
| ln Vitro |
No specific in vitro pharmacological activity data are available for Propylboronic acid as it is a synthetic intermediate. In research settings, the compound is used as a building block for synthesizing libraries of compounds that are subsequently screened for biological activity. Its activity is assessed in terms of synthetic utility and reactivity rather than direct biological activity. The compound is used in the synthesis of pharmaceutical agents including mTOR inhibitors.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for Propylboronic acid as a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals. Its derivatives and the compounds synthesized from it, including mTOR inhibitors for anti-tumor treatments, may be evaluated in animal models depending on the therapeutic area.
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| Enzyme Assay |
For non-cellular assays, Propylboronic acid is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. Purity (neutralization titration): 97.0 to 126.0%. The compound has a molecular weight of 87.91 and molecular formula C₃H₉BO₂. Melting point: 106°C. Storage: room temperature in a cool and dark place (<15°C). Typical protocols involve using the compound in Suzuki-Miyaura cross-coupling reactions.
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| Cell Assay |
For in vitro cell-based studies, Propylboronic acid is not typically used as a direct test compound. It is a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored in a cool, dry place protected from light and moisture.
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| Animal Protocol |
For in vivo animal studies, Propylboronic acid can be formulated using standard injection vehicles. The compound is a solid at room temperature. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups. Standard handling procedures for boronic acids should be followed.
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| ADME/Pharmacokinetics |
Propylboronic acid has a molecular weight of 87.91 and molecular formula C₃H₉BO₂. It appears as a white to off-white solid powder with a melting point of 106°C. Purity (neutralization titration): 97.0 to 126.0%. Storage: room temperature in a cool and dark place (<15°C). The compound is a solid at room temperature.
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| Toxicity/Toxicokinetics |
Propylboronic acid is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Boronic acids should be handled with care. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
Propylboronic acid (CAS 17745-45-8) is also known as n-propylboronic acid and 1-propylboronic acid. It is a primary alkylboronic acid used in the synthesis of pharmaceutical agents such as inhibitors of mTOR for use in anti-tumor treatments. The compound is a biochemical reagent for biomedical research. No clinical trials or therapeutic approvals exist for this compound.
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| Molecular Formula |
C3H9BO2
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|---|---|
| Molecular Weight |
87.91
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| Exact Mass |
88.069
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| CAS # |
17745-45-8
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| PubChem CID |
351065
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| Appearance |
White to off-white solid powder
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
170.8±23.0 °C at 760 mmHg
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| Melting Point |
105-108°C
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| Flash Point |
57.1±22.6 °C
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| Vapour Pressure |
0.5±0.7 mmHg at 25°C
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| Index of Refraction |
1.388
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| LogP |
0.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
6
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| Complexity |
30
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])B(C([H])([H])C([H])([H])C([H])([H])[H])O[H]
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| InChi Key |
JAQOMSTTXPGKTN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C3H9BO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3
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| Chemical Name |
propylboronic acid
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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) |
DMSO: ~100 mg/mL (~1137.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (56.88 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% 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 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5 mg/mL (56.88 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 3: ≥ 5 mg/mL (56.88 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 | 11.3753 mL | 56.8764 mL | 113.7527 mL | |
| 5 mM | 2.2751 mL | 11.3753 mL | 22.7505 mL | |
| 10 mM | 1.1375 mL | 5.6876 mL | 11.3753 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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