| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
Glurate does not have a defined biological receptor target as it is primarily used as a chemical reagent and acylating agent. It can be used in the development of antiviral compounds, especially those targeting retroviruses such as herpes virus and HIV. The compound is utilized in the synthesis of acyclic nucleoside derivatives and 5-hydroxyhexanoic acid. Its role is as a building block in medicinal chemistry rather than a direct-acting therapeutic agent.
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|---|---|
| ln Vitro |
In vitro biological activity of Glurate is not typically studied as a primary endpoint, as the compound is a synthetic intermediate. It may be used in the synthesis of bioactive compounds, but specific in vitro activity data for the compound itself are not available in the published literature. Its primary applications are in chemical synthesis and as a research reagent for the construction of antiviral agents.
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| ln Vivo |
In vivo activity of Glurate has not been studied, as the compound is not a drug candidate. It is used in chemical synthesis and may be a component of more complex molecules with biological activity. Animal model studies have not been reported for this compound. Its primary applications are in the laboratory rather than in vivo biological systems.
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| Enzyme Assay |
Glurate is used as a reagent and building block in organic synthesis. Standard chemical characterization methods such as NMR spectroscopy, mass spectrometry, and chromatography are used to verify its identity and purity. For reactions involving this compound, standard organic chemistry procedures for carboxylic acids and acylating agents are followed. No specific biological assay protocols are relevant for this compound.
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| Cell Assay |
Cell-based studies are not typically performed for Glurate, as it is not a bioactive compound. If cytotoxicity screening is conducted, standard cell viability assays using mammalian cell lines may be employed. Cells are cultured in appropriate media and exposed to various concentrations of the compound. However, such studies are not routine for this synthetic intermediate.
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| Animal Protocol |
In vivo animal studies are not applicable for Glurate as it is not a therapeutic compound. The compound is used in chemical synthesis and is not intended for administration to animals or humans. No animal model studies have been reported. Its use is limited to laboratory research and synthesis applications.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Glurate have not been studied. As a small hydrophilic molecule with a molecular weight of 130.14 g/mol, it would be expected to have rapid absorption and distribution if administered. However, the compound is not intended for therapeutic use, and PK studies are not relevant. Its primary applications are in chemical synthesis rather than biological systems. The compound has a LogP of 0.83.
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| Toxicity/Toxicokinetics |
Toxicological data for Glurate are limited. As a chemical reagent, standard safety precautions should be followed when handling. It may cause irritation to skin, eyes, and respiratory tract. Specific toxicological data such as LD₅₀ values have not been reported. The compound should be handled in a fume hood with appropriate personal protective equipment.
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| References |
[1]. Per Engelhardt, et al. Synthesis of acyclic nucleosides. Patent WO1997030052A1.
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| Additional Infomation |
5-Oxohexanoic acid is a medium-chain fatty acid composed of hexanoic acid linked to a 5-oxo group. It is a bacterial xenobiotic metabolite. It is a 5-oxomonocarboxylic acid, an oxo fatty acid, a medium-chain fatty acid, and a straight-chain fatty acid. Functionally, it is related to hexanoic acid. It is the conjugate acid of 5-oxohexanoic acid esters. 4-Acetylbutyric acid has been reported in Acaciella angustissima, and relevant data are available. See also: 5-oxohexanoic acid esters (note moved to).
Glurate is a chemical intermediate used in organic synthesis. It is a building block for the preparation of various pharmaceuticals and other fine chemicals. The compound is available as a research chemical and is not intended for therapeutic use. It has been reported in patent WO1997030052A1 for the synthesis of acyclic nucleoside esters. No clinical trials or regulatory approvals have been reported. |
| Molecular Formula |
C6H10O3
|
|---|---|
| Molecular Weight |
130.14
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| Exact Mass |
130.063
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| CAS # |
3128-06-1
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| PubChem CID |
18407
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| Appearance |
Colorless to light yellow liquid（Density：1.09 g/cm3）
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| Density |
1.09 g/mL at 25 °C(lit.)
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| Boiling Point |
274-275 °C(lit.)
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| Melting Point |
13-14 °C(lit.)
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| Flash Point |
>230 °F
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| Index of Refraction |
n20/D 1.4451(lit.)
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| LogP |
0.83
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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 |
4
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| Heavy Atom Count |
9
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| Complexity |
118
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(O)CCCC(C)=O
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| InChi Key |
MGTZCLMLSSAXLD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
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| Chemical Name |
5-oxohexanoic 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 (768.40 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.21 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 (19.21 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 (19.21 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 | 7.6840 mL | 38.4202 mL | 76.8403 mL | |
| 5 mM | 1.5368 mL | 7.6840 mL | 15.3681 mL | |
| 10 mM | 0.7684 mL | 3.8420 mL | 7.6840 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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