| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
3-Butenoic acid does not have a specific biological target; its effects are related to its chemical reactivity. It is a precursor for various metabolites and interacts with cellular pathways. Its derivatives have been identified as inhibitors of enzymes such as peptide amidating hydroxylase.
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|---|---|
| ln Vitro |
In vitro, 3-butenoic acid exhibits antimicrobial properties, inhibiting the growth of bacteria such as Erwinia amylovora. It is used to synthesize strained bicyclic 3,6-dihydro-1,2-oxazines, which are reactive substrates in domino metathesis reactions. Derivatives also show antitumor properties.
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| ln Vivo |
In vivo, 3-butenoic acid has been found to be effective in treating bacterial vaginosis. It also exhibits hepatoprotective properties and may help mitigate liver damage caused by viral infections. It is used to dynamically switch metabolic flux in bacterial fermentation.
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| Enzyme Assay |
Non-cellular assays for 3-butenoic acid typically involve characterizing its chemical reactivity in organic synthesis. Its antimicrobial activity can be assessed using standard broth microdilution or agar diffusion methods. Enzyme inhibition assays may be used to study its effects on specific targets, such as peptide amidating hydroxylase.
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| Cell Assay |
Cellular assays for 3-butenoic acid are conducted using bacterial and mammalian cell lines. Antibacterial activity is assessed by measuring growth inhibition. Its hepatoprotective properties can be evaluated in liver cell lines exposed to toxic insults.
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| Animal Protocol |
In vivo animal experiments for 3-butenoic acid are conducted in models of bacterial infection or liver disease. The compound is administered orally or via injection, and its effects on infection clearance, liver function, and other disease endpoints are assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-butenoic acid are not well-characterized. As a small, polar molecule, it is likely absorbed and rapidly metabolized. Its molecular weight is 86.09 g/mol. The compound is typically used as a chemical reagent.
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| Toxicity/Toxicokinetics |
Toxicological data for 3-butenoic acid are limited. As a carboxylic acid, it may be irritating to skin, eyes, and respiratory tract. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
[1]. Géraldine Calvet, et al. Domino metathesis of 3,6-dihydro-1,2-oxazine: access to isoxazolo[2,3-a]pyridin-7-ones. Org Lett. 2007 Apr 12;9(8):1485-8.
[2]. M A Casado-Rodriguez, et al. Synthesis of vinyl-terminated Au nanoprisms and nanooctahedra mediated by 3-butenoic acid: direct Au@pNIPAM fabrication with improved SERS capabilities. Nanoscale. 2016 Feb 28;8(8):4557-64. |
| Additional Infomation |
Butyl-3-enoic acid is an isomer of butenoic acid, with its double bond located at the C-3 position. It is the conjugate acid of butyl-3-enoic acid esters.
3-Butenoic acid is a versatile chemical intermediate used in various fields of research, including medicine, agriculture, and materials science. It is also known as vinylacetic acid. It is a valuable reagent for synthesizing bioactive compounds and studying metabolic pathways. |
| Molecular Formula |
C4H6O2
|
|---|---|
| Molecular Weight |
86.09
|
| Exact Mass |
86.036
|
| CAS # |
625-38-7
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| Related CAS # |
28391-17-5
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| PubChem CID |
32743
|
| Appearance |
Colorless to light yellow liquid（Density：1.013 g/cm3）
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
170.6±9.0 °C at 760 mmHg
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| Melting Point |
−39 °C(lit.)
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| Flash Point |
65.6±0.0 °C
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| Vapour Pressure |
0.7±0.7 mmHg at 25°C
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| Index of Refraction |
1.432
|
| LogP |
0.54
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
6
|
| Complexity |
65.9
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C(C([H])([H])C([H])=C([H])[H])=O
|
| InChi Key |
PVEOYINWKBTPIZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
|
| Chemical Name |
but-3-enoic 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 (1161.58 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (29.04 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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 2: ≥ 2.5 mg/mL (29.04 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 11.6158 mL | 58.0788 mL | 116.1575 mL | |
| 5 mM | 2.3232 mL | 11.6158 mL | 23.2315 mL | |
| 10 mM | 1.1616 mL | 5.8079 mL | 11.6158 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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