| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
3-Methyl-2-buten-1-ol is classified as an endogenous metabolite. As a metabolite, it does not have a specific pharmacological receptor target. Its biological roles are related to its natural occurrence in living organisms and its potential metabolic functions.
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|---|---|
| ln Vitro |
In vitro, 3-Methyl-2-buten-1-ol shows cytotoxicity against human PANC1 cells under both nutrient-deprived and nutrient-rich conditions after 24 hours, as determined by WST8 dye-based assay. The compound's activity is typically assessed in cell viability assays. It is also involved in the synthesis of umbelactone via the Sharpless asymmetric epoxidation reaction.
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| ln Vivo |
In vivo, 3-Methyl-2-buten-1-ol can reduce body weight in rats. As an orally active compound, it can be administered to animal models to study its metabolic effects. It can cross cell barriers, suggesting it may have systemic bioavailability.
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| Enzyme Assay |
For non-cell-based assays, 3-Methyl-2-buten-1-ol is not typically used in receptor binding studies. It can be characterized and quantified using analytical techniques such as HPLC and mass spectrometry. The compound's identity and purity are confirmed using these methods. Its physicochemical properties, including boiling point (140°C), are well-characterized.
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| Cell Assay |
For in vitro cellular assays, the compound's cytotoxicity can be assessed using cell viability assays such as the WST8 dye-based assay. Cells are cultured in appropriate media and treated with various concentrations of the compound for a defined period (e.g., 24 hours). Cell viability is then measured spectrophotometrically, and IC50 values are calculated from dose-response curves.
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| Animal Protocol |
For in vivo animal studies, 3-Methyl-2-buten-1-ol can be administered to rodents via oral gavage. In models of weight regulation, body weight and food intake are monitored following compound administration. The compound can be formulated for in vivo administration using solvents such as DMSO, PEG300, Tween-80, and saline.
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| ADME/Pharmacokinetics |
3-Methyl-2-buten-1-ol has a molecular weight of 86.13 g/mol and a molecular formula of C5H10O. It is soluble in DMSO (100 mg/mL) and water (170 mg/mL). The compound should be stored at -20°C for up to 3 years or at 4°C for up to 2 years. In solvent, it can be stored at -80°C for 6 months or at -20°C for 1 month.
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| Toxicity/Toxicokinetics |
The toxicity profile of 3-Methyl-2-buten-1-ol has not been extensively reported. As an endogenous metabolite and a compound used in cosmetics and cleaning agents, it is generally considered to have low toxicity at typical exposure levels. The compound is for research use only and is not intended for human consumption. Standard safety precautions should be observed when handling the compound.
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| References | |
| Additional Infomation |
Isopentenol is an enol, belonging to the isopentenol class of compounds. 3-Methyl-2-buten-1-ol has been reported to exist in Angelica sinensis, Rhodiola rosea, and other organisms with relevant data.
3-Methyl-2-buten-1-ol (CAS 556-82-1) is an endogenous metabolite found in pine trees. It is used as a fragrance ingredient in cosmetics and cleaning agents. The compound can cross cell barriers and has been shown to reduce body weight in rats. It is involved in the synthesis of umbelactone, a natural compound with potential anti-inflammatory and anticancer properties. It is available for research purposes only. |
| Molecular Formula |
C5H10O
|
|---|---|
| Molecular Weight |
86.13
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| Exact Mass |
86.073
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| CAS # |
556-82-1
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| PubChem CID |
11173
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.848
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| Boiling Point |
140 ºC
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| Melting Point |
-59.3 °C
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| Flash Point |
43 ºC
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| Vapour Pressure |
2.4±0.6 mmHg at 25°C
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| Index of Refraction |
1.442-1.444
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| LogP |
1.24
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
|
| Heavy Atom Count |
6
|
| Complexity |
51
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(=CCO)C
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| InChi Key |
ASUAYTHWZCLXAN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
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| Chemical Name |
3-methylbut-2-en-1-ol
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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 (1161.04 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (29.03 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.5 mg/mL (29.03 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (29.03 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 11.6104 mL | 58.0518 mL | 116.1036 mL | |
| 5 mM | 2.3221 mL | 11.6104 mL | 23.2207 mL | |
| 10 mM | 1.1610 mL | 5.8052 mL | 11.6104 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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