| Size | Price | Stock | Qty |
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| 5g |
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| 10g |
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| 25g |
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| Other Sizes |
| Targets |
Ethyl 2-hydroxy-4-methylpentanoate does not have a defined primary drug target as it is a synthetic intermediate and chemical reagent rather than a therapeutic agent. The compound's structural similarity to leucine and leucic acid derivatives suggests potential interactions with enzymes involved in amino acid metabolism, such as branched-chain amino acid aminotransferase or dehydrogenases. However, the compound itself is not designed to bind to specific biological targets. Its utility lies in its role as a building block for the synthesis of drug candidates with defined pharmacological activities.
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| ln Vitro |
A biochemical reagent called ethyl2-hydroxy-4-methylpentanoate can be utilized in life science research as an organic substance or biological material.
As a synthetic intermediate, Ethyl 2-hydroxy-4-methylpentanoate is not typically evaluated for direct in vitro biological activity against specific molecular targets. The compound serves as a precursor for biologically active molecules rather than possessing intrinsic pharmacological activity. Its primary applications are in organic synthesis as a building block for pharmaceuticals and naturally occurring compounds. Any biological activity observed would be incidental and not the intended purpose of the compound. |
| ln Vivo |
The compound itself is not typically evaluated for in vivo activity as it is a synthetic intermediate. Drug candidates synthesized from Ethyl 2-hydroxy-4-methylpentanoate may be evaluated in animal models for various indications, but the biological activity is attributed to the final drug molecule rather than the intermediate. The compound's primary applications remain in chemical synthesis and medicinal chemistry research as a versatile building block for drug discovery.
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| Enzyme Assay |
Cell-free biochemical assays involving Ethyl 2-hydroxy-4-methylpentanoate typically focus on its use as a synthetic reagent rather than as an enzyme inhibitor. In organic synthesis, the compound can be used as a chiral building block for the preparation of various derivatives. A standard protocol for ester hydrolysis involves treating the compound with aqueous base (e.g., NaOH or KOH) in ethanol or THF at room temperature or with heating, followed by acidification to isolate the carboxylic acid product. The compound's purity is verified by GC or HPLC. Reactions are monitored by TLC and products are characterized by NMR spectroscopy.
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| Cell Assay |
Cell-based assays are not typically performed with Ethyl 2-hydroxy-4-methylpentanoate as the compound is a chemical reagent rather than a drug candidate. If evaluating the biological activity of compounds synthesized from this intermediate, standard cell-based protocols would apply depending on the target indication. For example, cancer cell lines may be treated with the synthesized compound at various concentrations for 24-72 hours, and cell viability assessed by MTT or CellTiter-Glo assays. The intermediate itself may be used as a control to confirm that observed activity is due to the final compound structure.
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| Animal Protocol |
In vivo studies are not typically conducted with Ethyl 2-hydroxy-4-methylpentanoate itself. For drug candidates synthesized using this intermediate, standard in vivo efficacy studies involve rodent models of the target disease. A typical protocol includes oral or intravenous administration of the test compound at various doses, with monitoring of disease progression through appropriate endpoints such as tumor volume measurement, biomarker analysis, or survival assessment. The ester group may be hydrolyzed in vivo to the corresponding acid, which could contribute to the overall pharmacokinetic profile.
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| ADME/Pharmacokinetics |
As a chemical reagent rather than a drug, comprehensive pharmacokinetic data for Ethyl 2-hydroxy-4-methylpentanoate is not available. The compound's molecular weight is 160.21 g/mol and its logP is 0.9565, suggesting moderate lipophilicity. The compound is a liquid at room temperature. For drug molecules synthesized from this intermediate, ADME properties depend on the final structure. The ester group may be subject to hydrolysis by esterases in vivo, releasing the corresponding carboxylic acid.
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| Toxicity/Toxicokinetics |
Toxicological data specific to Ethyl 2-hydroxy-4-methylpentanoate is limited in publicly available literature. As with all chemical reagents, standard laboratory safety precautions should be observed when handling this compound. The compound should be handled with appropriate personal protective equipment in a well-ventilated area. For drug candidates synthesized using this intermediate, comprehensive toxicological evaluation is required as part of the drug development process, including acute and repeat-dose toxicity studies, genotoxicity assessment, and safety pharmacology profiling.
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| Additional Infomation |
2-Hydroxy-4-methylvalerate ethyl ester is a fatty acid ester.
Ethyl 2-hydroxy-4-methylpentanoate is a research chemical and synthetic intermediate rather than an approved pharmaceutical agent. No clinical trials or regulatory approvals exist for this compound itself. It is commercially available from various chemical suppliers for research purposes only. The compound's primary value lies in its utility as a versatile building block in organic synthesis, particularly for the preparation of leucic acid derivatives and other pharmacologically active compounds. Its applications in medicinal chemistry include the synthesis of drug candidates for various therapeutic areas. Researchers utilize this intermediate to explore structure-activity relationships and develop novel therapeutic agents. |
| Molecular Formula |
C8H16O3
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|---|---|
| Molecular Weight |
160.21
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| Exact Mass |
160.11
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| CAS # |
10348-47-7
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| PubChem CID |
112030
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| Appearance |
Colorless to light yellow liquid（Density：0.97 g/cm3）
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| Density |
0.97g/cm3
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| Boiling Point |
185°C
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| Vapour Pressure |
0.0967mmHg at 25°C
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| LogP |
0.956
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
11
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| Complexity |
121
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C([H])(C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
QRHOWVDPHIXNEN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3
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| Chemical Name |
ethyl 2-hydroxy-4-methylpentanoate
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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 (624.18 mM)
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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 | 6.2418 mL | 31.2090 mL | 62.4181 mL | |
| 5 mM | 1.2484 mL | 6.2418 mL | 12.4836 mL | |
| 10 mM | 0.6242 mL | 3.1209 mL | 6.2418 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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