| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| Other Sizes |
| Targets |
As a deuterated compound, Isobutyric acid-d7 does not have a specific biological target. Its purpose is not to exert a pharmacological effect but to serve as a tracer or internal standard. The stable isotope label allows researchers to distinguish the compound from its non-deuterated counterpart in analytical measurements.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
Isobutyric acid-d7 does not have intrinsic biological activity as a drug. It is used as a tracer for quantitation during drug development. |
| ln Vivo |
Isobutyric acid-d7 is used as a tracer in in vivo studies to quantify the pharmacokinetics of isobutyric acid or related compounds. By administering the deuterated compound and measuring its concentration in biological fluids over time, researchers can determine parameters such as absorption, distribution, metabolism, and excretion.
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| Enzyme Assay |
Non-cell-based assays using Isobutyric acid-d7 typically involve mass spectrometry (LC-MS/MS or GC-MS). The compound is spiked into biological samples (plasma, urine, tissue homogenates) as an internal standard. The ratio of the deuterated compound to the non-deuterated analyte is then measured by mass spectrometry to quantify the analyte's concentration accurately. This method corrects for variability in sample preparation and instrument performance, providing highly reliable quantitative data.
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| Cell Assay |
Cell culture experiments using Isobutyric acid-d7 are not typical, as it is primarily used as an analytical standard.
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| Animal Protocol |
Isobutyric acid-d7 is administered to animals (e.g., rodents) via oral or intravenous routes. Blood samples are collected at various time points, and the concentration of the deuterated compound is measured by mass spectrometry to determine pharmacokinetic parameters such as half-life, clearance, and volume of distribution.
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| ADME/Pharmacokinetics |
Isobutyric acid-d7 has a molecular weight of 95.15. It is used as a tracer to study the pharmacokinetics and metabolic properties of isobutyric acid. Deuterium labeling may affect the pharmacokinetic and metabolic profiles of drugs.
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| Toxicity/Toxicokinetics |
Toxicological data for Isobutyric acid-d7 are not available. As a stable isotope-labeled compound, it is considered to have low toxicity at the tracer doses typically used in analytical and pharmacokinetic studies.
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| References | |
| Additional Infomation |
Isobutyric acid-d7 is a deuterated compound used primarily as an analytical standard and tracer. It is a colorless liquid with a pungent odor and is also used as a flavoring agent in the food industry. Its primary value in research is its role as a stable isotope-labeled internal standard for mass spectrometry-based quantitation.
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| Molecular Formula |
C4HD7O2
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|---|---|
| Molecular Weight |
95.15
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| Exact Mass |
95.096
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| CAS # |
223134-74-5
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| Related CAS # |
Isobutanoic acid;79-31-2;Isobutyric acid-d6;29054-08-8
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| PubChem CID |
10486801
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
155.2±8.0 °C at 760 mmHg
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| Melting Point |
-47ºC(lit.)
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| Flash Point |
55.6±0.0 °C
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| Vapour Pressure |
1.6±0.6 mmHg at 25°C
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| Index of Refraction |
1.408
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| LogP |
0.59
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
6
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| Complexity |
56.6
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C([2H])(C(=O)O)C([2H])([2H])[2H]
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| InChi Key |
KQNPFQTWMSNSAP-YYWVXINBSA-N
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| InChi Code |
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/i1D3,2D3,3D
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| Chemical Name |
2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanoic 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) |
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 | 10.5097 mL | 52.5486 mL | 105.0972 mL | |
| 5 mM | 2.1019 mL | 10.5097 mL | 21.0194 mL | |
| 10 mM | 1.0510 mL | 5.2549 mL | 10.5097 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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