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| Other Sizes |
| Targets |
(R)-Methyl 3-hydroxybutanoate does not have a defined biological target as a therapeutic agent. It is a chiral building block used in organic synthesis and drug discovery. The compound may be used in the synthesis of various bioactive molecules, including pharmaceuticals, where its biological activity would be determined by the final molecules into which it is incorporated. It is not characterized for direct pharmacological effects on any specific receptor or enzyme.
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| ln Vitro |
For life science-related research, (R)-Methyl 3-hydroxybutanoate is a biochemical reagent that can be utilized as an organic substance or biomaterial.
Specific in vitro activity data for (R)-Methyl 3-hydroxybutanoate as a pharmacological agent are not documented in the literature, as it is primarily used as a chemical intermediate. Its derivatives may exhibit various biological activities depending on their specific structures and functionalization. However, the parent compound itself is not characterized for direct biological effects such as enzyme inhibition, receptor modulation, or antimicrobial activity. It is strictly a synthetic building block. |
| ln Vivo |
(R)-Methyl 3-hydroxybutanoate is not used for in vivo pharmacological activity assessment as a drug compound. Its primary application is as a chiral building block in organic synthesis and medicinal chemistry research. The compound is not intended to be administered to animals for pharmacological or toxicological studies. Its derivatives, which are synthesized from this building block, may be evaluated in vivo depending on their therapeutic targets, but the parent compound itself has no in vivo pharmacological profile.
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| Enzyme Assay |
As a chiral building block, (R)-Methyl 3-hydroxybutanoate is not used in enzyme/receptor binding assays. Its role is in the synthesis of compounds that may be evaluated in such assays. When used in research, it serves as a starting material for the preparation of various chiral intermediates and biologically active compounds. Standard synthetic chemistry protocols, including esterification, reduction, and hydrolysis reactions, are employed for its use, rather than biochemical assay procedures.
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| Cell Assay |
(R)-Methyl 3-hydroxybutanoate is not used in cell-based assays as a test compound. Its primary application is as a chiral building block for the synthesis of more complex molecules. The compound's derivatives may be evaluated in cell-based assays for various biological activities, but the parent compound itself is not characterized for direct cellular effects, cytotoxicity, or any pharmacological activity. It is strictly a reagent for chemical synthesis.
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| Animal Protocol |
(R)-Methyl 3-hydroxybutanoate is not used in animal studies as a pharmacological agent. Its primary application is as a chiral building block in organic synthesis and medicinal chemistry. The compound is not intended to be administered to animals for efficacy or safety evaluations. Its derivatives may be evaluated in animal models depending on their therapeutic targets, but the parent compound itself has no in vivo pharmacological profile.
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| ADME/Pharmacokinetics |
(R)-Methyl 3-hydroxybutanoate has a molecular weight of 118.13 g/mol and a molecular formula of C₅H₁₀O₃. It is a colorless to light yellow liquid with a characteristic odor. The compound is soluble in organic solvents such as ethanol, methanol, dichloromethane, and ethyl acetate. It is typically stored under standard laboratory conditions at room temperature, protected from moisture and light. Its enantiomeric purity is an important parameter for its use in chiral synthesis.
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| Toxicity/Toxicokinetics |
(R)-Methyl 3-hydroxybutanoate is intended for research use only and is not approved for human therapeutic applications. As a chiral building block, comprehensive toxicological data are not available in the publicly accessible literature. The compound may cause skin, eye, and respiratory tract irritation upon exposure. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment such as gloves, goggles, and lab coats. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| Additional Infomation |
(R)-Methyl 3-hydroxybutanoate (Methyl (R)-(-)-3-hydroxybutyrate) (CAS#: 3976-69-0) has a molecular formula of C₅H₁₀O₃ and a molecular weight of 118.13 g/mol. It is a chiral ester used as a building block in organic synthesis and medicinal chemistry for the preparation of pharmaceuticals, fine chemicals, and biodegradable polymers. This compound is not a drug and has not undergone clinical trials.
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| Molecular Formula |
C5H10O3
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|---|---|
| Molecular Weight |
118.13
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| Exact Mass |
118.062
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| CAS # |
3976-69-0
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| PubChem CID |
2724279
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.055
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| Boiling Point |
161.9±0.0 °C at 760 mmHg
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| Flash Point |
71.7±0.0 °C
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| Vapour Pressure |
0.8±0.6 mmHg at 25°C
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| Index of Refraction |
1.420
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| LogP |
-0.55
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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 |
3
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| Heavy Atom Count |
8
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| Complexity |
79.7
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O([H])[C@]([H])(C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])[H]
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| InChi Key |
LDLDJEAVRNAEBW-SCSAIBSYSA-N
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| InChi Code |
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
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| Chemical Name |
methyl (3R)-3-hydroxybutanoate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 8.4653 mL | 42.3263 mL | 84.6525 mL | |
| 5 mM | 1.6931 mL | 8.4653 mL | 16.9305 mL | |
| 10 mM | 0.8465 mL | 4.2326 mL | 8.4653 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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