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| Targets |
(R)-(-)-1,3-Butanediol targets metabolic pathways involved in carbohydrate and lipid metabolism. It is a ketogenic ester that induces systemic ketosis and serves as a substrate for brain metabolism. The compound is used as a hypoglycaemic agent. It has a stimulating effect on gluconeogenesis from pyruvate and decreases the redox state of free NAD-pairs, increasing the content of phosphoenolpyruvate and malate.
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| ln Vitro |
In vitro, (R)-(-)-1,3-Butanediol is used to study carbohydrate and lipid metabolism. It is a ketogenic ester that elevates β-hydroxybutyric acid levels. The compound is an endogenous metabolite used in metabolic research. Its effects on gluconeogenesis from pyruvate and redox state have been characterized. Further in vitro studies are needed to fully characterize its biological activity.
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| ln Vivo |
In vivo, (R)-(-)-1,3-Butanediol is a ketogenic ester that rapidly elevates circulating β-hydroxybutyric acid levels. It induces systemic ketosis. The compound has been shown to increase hypoxic survival time and reduce neurologic deficit in several experimental preparations. It is used to study metabolic system-related diseases. (R)-(-)-1,3-Butanediol can be converted into β-hydroxybutyrate and serve as a substrate for brain metabolism.
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| Enzyme Assay |
In vitro enzyme assays for (R)-(-)-1,3-Butanediol involve measuring its conversion to β-hydroxybutyrate by dehydrogenases. Enzyme activity is assessed by monitoring the formation of β-hydroxybutyrate using spectrophotometric or HPLC methods. Gluconeogenesis from pyruvate is assessed by measuring phosphoenolpyruvate and malate production. The compound's effect on redox state is measured by assessing NAD/NADH ratios. Assays are performed in appropriate buffer systems with positive controls.
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| Cell Assay |
In vitro cell-based assays for (R)-(-)-1,3-Butanediol are conducted in various cell lines to study metabolism. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. Ketone body production is measured by β-hydroxybutyrate assays. Metabolic flux is assessed by measuring glucose and lipid metabolism markers. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
(R)-(-)-1,3-Butanediol in vivo studies are conducted in animal models for metabolic research. Animals are treated with the compound via oral administration or injection. Blood β-hydroxybutyrate levels are measured. For hypoglycemic studies, blood glucose levels are monitored. For neuroprotection studies, hypoxic survival time and neurologic deficit are assessed. Animals are monitored for clinical signs. Tissues and blood samples are collected for biochemical analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
(R)-(-)-1,3-Butanediol (MW 90.12 g/mol, C4H10O2) is a chiral ketogenic ester. It is one of four stable structural isomers of butanediol. The compound is soluble in water and other appropriate solvents. It is stable under recommended storage conditions. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies. (R)-(-)-1,3-Butanediol is used in metabolic research and drug development.
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| Toxicity/Toxicokinetics |
(R)-(-)-1,3-Butanediol is generally well-tolerated as a ketogenic ester. The compound is a chiral molecule used in metabolic research. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard laboratory safety practices should be employed when handling this compound. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References | |
| Additional Infomation |
(R)-Butane-1,3-diol is the R-configuration of butane-1,3-diol, which is the enantiomer of (S)-butane-1,3-diol.
(R)-(-)-1,3-Butanediol is a chiral ketogenic ester that rapidly elevates circulating β-hydroxybutyric acid levels and is used to regulate carbohydrate and lipid metabolism. It induces systemic ketosis, increases hypoxic survival time, and reduces neurologic deficit. The compound can be converted into β-hydroxybutyrate and serve as a substrate for brain metabolism. Its molecular formula is C4H10O2 with a molecular weight of 90.12 g/mol. All applications are limited to non-human research use. |
| Molecular Formula |
C4H10O2
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|---|---|
| Molecular Weight |
90.121
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| Exact Mass |
90.068
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| CAS # |
6290-03-5
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| Related CAS # |
1,3-Butanediol;107-88-0
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| PubChem CID |
637497
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.005
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| Boiling Point |
207.0±0.0 °C at 760 mmHg
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| Melting Point |
0ºC
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| Flash Point |
108 ºC
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| Vapour Pressure |
0.1±0.8 mmHg at 25°C
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| Index of Refraction |
1.438
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| LogP |
-0.69
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
6
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| Complexity |
28.7
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@H](CCO)O
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| InChi Key |
PUPZLCDOIYMWBV-SCSAIBSYSA-N
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| InChi Code |
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
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| Chemical Name |
(3R)-butane-1,3-diol
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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 (~1109.63 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (27.74 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 (27.74 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 (27.74 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 | 11.0963 mL | 55.4816 mL | 110.9632 mL | |
| 5 mM | 2.2193 mL | 11.0963 mL | 22.1926 mL | |
| 10 mM | 1.1096 mL | 5.5482 mL | 11.0963 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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