| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
3-Indoleacetic acid-d5 shares the same molecular target as its non-deuterated form, 3-indoleacetic acid. IAA is a plant hormone (auxin) that regulates plant growth and development, including cell elongation, root initiation, and fruit development. It acts through the TIR1/AFB auxin receptor and the SCF ubiquitin ligase complex. In mammals, IAA is a metabolite of tryptophan. The labeled compound is used as an internal standard for the quantification of IAA in biological samples.
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|---|---|
| ln Vitro |
The deuterated compound itself does not possess intrinsic pharmacological activity in vitro; its biological activity is identical to that of IAA. IAA is a plant hormone that is not pharmacologically active in animals. The labeled compound is used as an internal standard for quantifying IAA in biological samples, not for evaluating its own biological activity. In plant cell culture, IAA is used as a growth regulator.
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| ln Vivo |
3-Indoleacetic acid-d5 is not used as a therapeutic agent; its non-deuterated form, IAA, is a plant hormone. In vivo, IAA is a metabolite of tryptophan in mammals and is excreted in urine. The labeled compound is used in pharmacokinetic and metabolic studies to accurately measure IAA levels in biological samples for research purposes.
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| Enzyme Assay |
In vitro assays for 3-indoleacetic acid-d5 focus on its use as an analytical standard. A standard protocol involves preparing a solution of the compound in an appropriate solvent (e.g., methanol) and using it as an internal standard for LC-MS or GC-MS analysis of IAA in plant tissues, serum, or urine samples. The compound is added to samples before extraction and derivatization procedures. Quantification is performed by monitoring specific mass transitions for the labeled and unlabeled compounds.
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| Cell Assay |
In vitro cell culture experiments are not performed with 3-indoleacetic acid-d5. When studying the effects of IAA in plant cell culture, the non-labeled compound is used. Plant cells are treated with IAA, and growth or gene expression is measured. The labeled compound is used as an internal standard for LC-MS analysis of IAA concentrations in cell culture media or lysates.
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| Animal Protocol |
In vivo animal studies are not conducted with 3-indoleacetic acid-d5. When used in metabolic studies, the labeled compound serves as an internal standard for the quantification of IAA in animal plasma or urine samples.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-indoleacetic acid-d5 itself are not characterized, as it is not a drug substance. IAA is a metabolite of tryptophan that is excreted in urine. The labeled compound is used as an internal standard for metabolic studies.
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| Toxicity/Toxicokinetics |
3-Indoleacetic acid-d5 is not a therapeutic agent and has not been evaluated for toxicity in humans. IAA is a naturally occurring compound with low toxicity. The labeled compound is for research use only and should be handled with standard laboratory precautions.
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| References | |
| Additional Infomation |
3-Indoleacetic acid-d5 is a stable isotope-labeled internal standard used for the quantification of indoleacetic acid in biological samples. It is also known as 3-IAA-d5. The compound is used in analytical method development, quality control, and plant physiology research.
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| Molecular Formula |
C10H4D5NO2
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|---|---|
| Molecular Weight |
180.21
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| Exact Mass |
180.095
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| CAS # |
76937-78-5
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| Related CAS # |
3-Indoleacetic acid;87-51-4;3-Indoleacetic acid-d4;76937-77-4
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| PubChem CID |
54301591
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| Appearance |
Off-white to light yellow solid powder
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| Melting Point |
165-169ºC(lit.)
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| LogP |
1.795
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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 |
13
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| Complexity |
205
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H]
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| InChi Key |
SEOVTRFCIGRIMH-SNOLXCFTSA-N
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| InChi Code |
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D
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| Chemical Name |
2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)acetic 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 (554.91 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.87 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 (13.87 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 (13.87 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 | 5.5491 mL | 27.7454 mL | 55.4908 mL | |
| 5 mM | 1.1098 mL | 5.5491 mL | 11.0982 mL | |
| 10 mM | 0.5549 mL | 2.7745 mL | 5.5491 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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