| Size | Price | Stock | Qty |
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| 1g |
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| 5g |
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| Other Sizes |
| Targets |
No specific molecular target. It is a metabolite and chemical building block.
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|---|---|
| ln Vitro |
3,3-Dimethylglutaric acid is a chemical reactant. Its in vitro activity is defined by its role as a precursor in chemical reactions, such as the synthesis of betulin derivatives with anti-HIV activity. It is not a biologically active compound with a defined pharmacological activity.
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| ln Vivo |
As a naturally occurring metabolite, it is expected to be metabolized. However, specific pharmacological in vivo activity is not documented; its primary use is as a research chemical and synthetic intermediate.
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| Enzyme Assay |
In vitro experiments typically use 3,3-dimethylglutaric acid as a reagent in organic synthesis. For example, it is involved in cyclodehydration reactions. Its purity and physical properties (e.g., white to beige crystalline powder) are key parameters.
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| Cell Assay |
In vitro cellular assays are not standard for this compound, as it is not a drug candidate. It may be used in studies of fatty acid metabolism.
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| Animal Protocol |
In vivo animal experiments are not typical for this compound, as it is not a drug candidate but a chemical building block.
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| ADME/Pharmacokinetics |
As a small, polar dicarboxylic acid, it is expected to have good aqueous solubility. It is not a drug and is not administered therapeutically.
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| Toxicity/Toxicokinetics |
3,3-Dimethylglutaric acid is generally considered safe for laboratory use. However, as with all research chemicals, standard safety precautions should be observed. It is not intended for human therapeutic use.
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| References | |
| Additional Infomation |
3,3-Dimethylglutaric acid is an α,ω-dicarboxylic acid formed by the substitution of two methyl groups at the C-3 position of glutaric acid. It is a metabolite functionally related to glutaric acid.
3,3-Dimethylglutaric acid is a chemical building block and a metabolite. It is not a drug. |
| Molecular Formula |
C₇H₁₂O₄
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|---|---|
| Molecular Weight |
160.17
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| Exact Mass |
160.073
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| CAS # |
4839-46-7
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| PubChem CID |
20984
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
300.4±15.0 °C at 760 mmHg
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| Melting Point |
100-102 °C(lit.)
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| Flash Point |
149.7±16.9 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.475
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| LogP |
-0.34
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
11
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| Complexity |
153
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
DUHQIGLHYXLKAE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
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| Chemical Name |
3,3-dimethylpentanedioic acid
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| Synonyms |
3,3Dimethylglutaric acid; 3,3 Dimethylglutaric 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 (~624.34 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 10 mg/mL (62.43 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 100.0 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: ≥ 10 mg/mL (62.43 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 100.0 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: ≥ 10 mg/mL (62.43 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 | 6.2434 mL | 31.2168 mL | 62.4337 mL | |
| 5 mM | 1.2487 mL | 6.2434 mL | 12.4867 mL | |
| 10 mM | 0.6243 mL | 3.1217 mL | 6.2434 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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