| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
|
||
| 50g |
|
||
| Other Sizes |
| Targets |
Cyclopropylboronic acid does not have a specific biological target itself. It is a synthetic intermediate used to prepare bioactive molecules, including EGFR kinase inhibitors. Compound 25, synthesized from cyclopropylboronic acid, targets EGFR mutants (EGFR Δ19del/T790M/C797S) and exhibits antiproliferative effects. The cyclopropyl group is often used in drug design to increase activity, fix conformation, and improve pharmacokinetic properties and water solubility.
|
|---|---|
| ln Vitro |
Cyclopropylboronic acid is a chemical intermediate and does not possess intrinsic in vitro biological activity. Its value lies in its utility for synthesizing bioactive molecules, including EGFR kinase inhibitors. The compound is used to introduce cyclopropyl groups into drug candidates, which can enhance activity, fix conformation, and improve pharmacokinetic properties. It is not directly assayed for biological effects.
|
| ln Vivo |
This compound is not a pharmacologically active agent and does not have intrinsic in vivo activity. Its applications in vivo are limited to its use as a synthetic intermediate for producing drug candidates that are subsequently evaluated in animal models. EGFR kinase inhibitors synthesized from this intermediate may be evaluated in tumor-bearing mice for anticancer efficacy. The compound itself is not administered to animals as a test compound.
|
| Enzyme Assay |
Cyclopropylboronic acid is not typically used in cell-free enzyme/receptor binding assays. Its role in drug discovery is as a synthetic building block. For compounds synthesized using this reagent, typical binding assays may be performed. These involve incubating the test compound with purified enzymes or receptors in buffered solutions, with binding affinity measured by SPR, ITC, or fluorescence-based methods.
|
| Cell Assay |
Cell-based assays are not directly performed on cyclopropylboronic acid due to its lack of biological activity. However, drug candidates synthesized from this intermediate, such as EGFR kinase inhibitors, are tested in cellular systems. For EGFR inhibitors, cancer cell lines with EGFR mutations (e.g., NSCLC cells with Δ19del/T790M/C797S) are cultured and treated with the synthesized compound. Cell viability (MTT), apoptosis, and EGFR phosphorylation are assessed over 24–72 hours.
|
| Animal Protocol |
In vivo studies with cyclopropylboronic acid derivatives may involve administration to tumor-bearing mice via oral gavage or intravenous injection. For EGFR kinase inhibitors, tumor growth inhibition, survival, body weight, and pharmacokinetic parameters are monitored. Tissue distribution and toxicity are assessed by histopathology. All procedures follow institutional animal care guidelines.
|
| ADME/Pharmacokinetics |
Cyclopropylboronic acid is a synthetic chemical reagent and is not subject to pharmacokinetic evaluation as a drug. Its physicochemical properties include a molecular weight of 85.9 g/mol and a molecular formula of C3H7BO2. The compound is stable under normal storage conditions and is available in high purity (≥96%). The cyclopropyl group is valued in drug design for introducing conformational constraints and improving pharmacokinetic properties.
|
| Toxicity/Toxicokinetics |
The toxicological profile of cyclopropylboronic acid has not been extensively characterized. As a boronic acid, it may cause skin, eye, and respiratory tract irritation. Standard laboratory safety precautions should be observed, including the use of personal protective equipment (gloves, goggles, lab coat) and adequate ventilation. Ingestion or inhalation should be avoided. Appropriate first-aid measures should be in place.
|
| References | |
| Additional Infomation |
Cyclopropylboronic acid is not a drug but a valuable chemical intermediate and building block for medicinal chemistry. It is used to synthesize EGFR kinase inhibitors with activity against mutant EGFR cells. The cyclopropyl group is often used in drug design to increase activity, fix conformation, and improve pharmacokinetic properties and water solubility. It serves as a key building block in the development of bioactive molecules, agrochemicals, and pharmaceutical intermediates. It is not approved for clinical use.
|
| Molecular Formula |
C3H7BO2
|
|---|---|
| Molecular Weight |
85.90
|
| Exact Mass |
86.053
|
| CAS # |
411235-57-9
|
| PubChem CID |
2760897
|
| Appearance |
Off-white to yellow solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
205.1±23.0 °C at 760 mmHg
|
| Melting Point |
90-95 °C(lit.)
|
| Flash Point |
77.9±22.6 °C
|
| Vapour Pressure |
0.1±0.9 mmHg at 25°C
|
| Index of Refraction |
1.443
|
| LogP |
0.2
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
6
|
| Complexity |
50.8
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])B(C1([H])C([H])([H])C1([H])[H])O[H]
|
| InChi Key |
WLVKDFJTYKELLQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
|
| Chemical Name |
cyclopropylboronic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ≥ 100 mg/mL (~1164.1 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (58.21 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 (58.21 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 (58.21 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 | 11.6414 mL | 58.2072 mL | 116.4144 mL | |
| 5 mM | 2.3283 mL | 11.6414 mL | 23.2829 mL | |
| 10 mM | 1.1641 mL | 5.8207 mL | 11.6414 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
Copyright 2020 InvivoChem LLC | All Rights Reserved
