| Size | Price | |
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| Other Sizes |
| Targets |
Diisopropyl adipate targets the transient receptor potential ankyrin 1 (TRPA1) channel, functioning as a TRPA1 activator. Activation of TRPA1 by diisopropyl adipate enhances FITC-induced contact hypersensitivity (CHS). TRPA1 is a non-selective cation channel involved in pain sensation, inflammation, and sensory perception. The compound's interaction with TRPA1 has been demonstrated through its ability to activate the channel and potentiate immune responses. As an excipient, it also interacts with various pharmaceutical formulations without specific receptor binding.
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| ln Vitro |
In vitro studies demonstrate that diisopropyl adipate activates TRPA1 and enhances FITC-induced contact hypersensitivity (CHS). The compound serves as an alternative plasticizer with biological activity that has garnered attention in recent research. It is known to interact with certain proteins and enzymes, including activation of the transient receptor potential ankyrin 1 (TRPA1). The compound is utilized extensively as an alternative plasticizer in various formulations and as an excipient in pharmaceutical applications. It is also used as an ingredient in cosmetic and pharmaceutical preparations applied topically to the skin.
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| ln Vivo |
In vivo studies of diisopropyl adipate are limited in publicly available literature. The compound has been shown to enhance FITC-induced contact hypersensitivity (CHS), indicating its ability to modulate immune responses in vivo. As a TRPA1 activator, it may have effects on pain sensation, inflammation, and sensory perception in animal models. The compound is also used as an ingredient in cosmetics and drug formulations topically applied to the skin, suggesting topical absorption and local effects. However, specific in vivo pharmacokinetic and pharmacodynamic data for this compound are not extensively reported in the available sources.
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| Enzyme Assay |
For TRPA1 receptor binding and activation assays, cells expressing TRPA1 channels (e.g., HEK293 cells) are cultured and loaded with calcium-sensitive fluorescent dyes. Diisopropyl adipate is dissolved in DMSO and diluted in assay buffer to varying concentrations. Cells are treated with the compound and calcium flux is measured using fluorescence plate readers to assess TRPA1 activation. For contact hypersensitivity assays, FITC is applied to mouse skin followed by diisopropyl adipate treatment. Ear swelling or skin inflammation is measured as an indicator of CHS. Assays are performed in replicate with appropriate vehicle and positive controls (e.g., known TRPA1 agonists). IC50 or EC50 values are calculated from dose-response curves.
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| Cell Assay |
For in vitro cellular assays, cell lines of interest (e.g., TRPA1-expressing HEK293 cells or sensory neurons) are cultured in appropriate media under standard conditions (37°C, 5% CO2). Diisopropyl adipate is dissolved in DMSO and diluted in culture medium to desired concentrations. Cells are treated with compound for specified durations. TRPA1 activation is assessed by measuring intracellular calcium flux using fluorescent indicators. For contact hypersensitivity studies, skin cells or immune cells may be used. Cell viability and inflammatory marker expression can also be measured. Each concentration is tested in replicate wells with appropriate vehicle controls and positive controls.
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| Animal Protocol |
For in vivo animal studies, diisopropyl adipate has been studied in FITC-induced contact hypersensitivity (CHS) models. Mice are sensitized with FITC on the skin, followed by challenge with FITC and treatment with diisopropyl adipate. Ear swelling is measured as an indicator of CHS response. The compound is typically administered topically or via appropriate routes in suitable formulations. Dosage regimens vary by study objective. Tissue samples may be collected for histopathological examination and biomarker analysis. Body weight and clinical signs are monitored throughout. All procedures follow institutional animal care and use committee guidelines. The compound is also used in topical cosmetic and pharmaceutical formulations.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of diisopropyl adipate are characteristic of a small lipophilic ester. The compound has a molecular weight of 230.30, formula C12H22O4, and CAS number 6938-94-9. It is used as a pharmaceutical excipient and can affect the absorption, distribution, metabolism, and elimination (ADME) processes of co-administered drugs. As a topical ingredient, it is absorbed through the skin. Storage: typically at room temperature in a dry place. Solubility: soluble in organic solvents such as ethanol, DMSO, and oils. The compound has a CAS number of 6938-94-9. Specific pharmacokinetic parameters such as half-life, clearance, and bioavailability are not extensively reported.
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| Toxicity/Toxicokinetics |
Toxicity Summary
It is safe at the current usage and concentration. Ingredient, concentration, and usage information can be found at: https://cir-reports.cir-safety.org According to available safety information, diisopropyl adipate is classified as a TRPA1 activator that enhances FITC-induced contact hypersensitivity, indicating potential skin sensitization properties. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment (gloves, lab coat, safety goggles). The compound should be handled in a well-ventilated area. Avoid skin contact and inhalation. In case of skin contact, wash with plenty of soap and water. In case of eye contact, rinse cautiously with water for several minutes. The compound is used as a pharmaceutical excipient and cosmetic ingredient at appropriate concentrations. No clinical toxicity data are available for therapeutic use. |
| References |
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| Additional Infomation |
Diisopropyl adipic acid is a fatty acid ester and also an isopropyl ester.
Diisopropyl adipate (Adipic acid diisopropyl ester) is an alternative plasticizer and TRPA1 activator with the molecular formula C12H22O4 and molecular weight 230.30. It activates TRPA1 and enhances FITC-induced contact hypersensitivity (CHS). The compound serves as an ingredient in cosmetics and drug formulations topically applied to the skin, and as a pharmaceutical excipient functioning as an emollient and plasticizer. It is primarily used as a plasticizer and solvent in industrial applications. The compound is for research use only with no clinical development or regulatory approvals reported for therapeutic indications. |
| Molecular Formula |
C12H22O4
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|---|---|
| Molecular Weight |
230.30
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| Exact Mass |
230.151
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| CAS # |
6938-94-9
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| PubChem CID |
23368
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
252.6±8.0 °C at 760 mmHg
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| Melting Point |
-1 °C
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| Flash Point |
109.8±16.9 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.435
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| LogP |
2.79
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
16
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| Complexity |
197
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)OC(=O)CCCCC(=O)OC(C)C
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| InChi Key |
ZDQWESQEGGJUCH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
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| Chemical Name |
dipropan-2-yl hexanedioate
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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 | 4.3422 mL | 21.7108 mL | 43.4216 mL | |
| 5 mM | 0.8684 mL | 4.3422 mL | 8.6843 mL | |
| 10 mM | 0.4342 mL | 2.1711 mL | 4.3422 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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