| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
3-Iodothyronamine-d4 hydrochloride shares the same molecular target as its non-deuterated form, 3-iodothyronamine. 3-Iodothyronamine (T1AM) is an endogenous, rapid-acting derivative of thyroid hormone that potently activates the orphan G protein-coupled receptor TAAR1 (trace amine-associated receptor 1). TAAR1 is involved in the regulation of neurotransmitter release, energy homeostasis, and immune function. T1AM also interacts with other receptors and transporters, including the α₂A-adrenergic receptor and the serotonin transporter (SERT). The labeled compound is used as a tracer to study the pharmacology of T1AM.
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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].
The deuterated compound itself does not possess intrinsic pharmacological activity in vitro; its biological activity is identical to that of 3-iodothyronamine. 3-Iodothyronamine is a potent agonist at TAAR1 with an EC₅₀ in the nanomolar range. In vitro studies have demonstrated that T1AM activates TAAR1-mediated signaling pathways, including cAMP accumulation and ERK phosphorylation. T1AM also inhibits serotonin uptake by SERT and has vasodilatory effects through the activation of voltage-gated potassium channels. The labeled compound is used as an internal standard for quantifying T1AM in biological samples. |
| ln Vivo |
3-Iodothyronamine-d4 hydrochloride is not used as a therapeutic agent; its non-deuterated form, 3-iodothyronamine, is an endogenous thyroid hormone metabolite with rapid-acting biological effects. In vivo, T1AM induces hypothermia, reduces heart rate, and alters metabolic rate on a rapid time scale. It is rapidly metabolized and has a short half-life. The labeled compound is used in pharmacokinetic and metabolic studies to accurately measure T1AM levels in plasma, urine, and tissue samples.
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| Enzyme Assay |
In vitro receptor binding assays for 3-iodothyronamine-d4 hydrochloride are not standard, as it is an analytical standard. The activity of its non-deuterated form can be assessed using functional assays for TAAR1 activation. Cells expressing TAAR1 are treated with T1AM at concentrations ranging from 1 nM to 100 µM, and cAMP levels are measured by ELISA or HTRF assays. The labeled compound is used as an internal standard for LC-MS/MS analysis of T1AM concentrations in biological samples. Quality control includes purity analysis.
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| Cell Assay |
In vitro cell culture experiments are not performed with 3-iodothyronamine-d4 hydrochloride. When studying the effects of T1AM in cellular systems, the non-labeled compound is used. Cells expressing TAAR1 are treated with T1AM, and downstream signaling pathways (e.g., cAMP, ERK) are measured. The labeled compound is used as an internal standard for LC-MS/MS analysis of T1AM concentrations in cell culture media or lysates.
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| Animal Protocol |
In vivo animal studies with 3-iodothyronamine-d4 hydrochloride are not conducted, as it is an analytical standard. When used in pharmacokinetic studies, the labeled compound serves as an internal standard for the quantification of T1AM in animal plasma or tissue samples. In typical protocols, animals are administered T1AM, and blood samples are collected at various time points. The labeled internal standard is added to the samples before analysis by LC-MS/MS to ensure accurate and precise quantification.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-iodothyronamine-d4 hydrochloride itself are not characterized, as it is not a drug substance. 3-Iodothyronamine (T1AM) is an endogenous metabolite with a very short half-life (minutes) due to rapid metabolism by deiodinases and amine oxidases. It is produced from thyroid hormone and is degraded to thyronamine and other metabolites. The labeled compound is used as an internal standard to accurately quantify T1AM in pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
3-Iodothyronamine-d4 hydrochloride is not a therapeutic agent and has not been evaluated for toxicity in humans. Its non-deuterated form, T1AM, is an endogenous compound with potent biological effects. High doses of T1AM can induce hypothermia and bradycardia. The labeled compound is for research use only and should be handled with standard laboratory precautions.
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| References | |
| Additional Infomation |
3-Iodothyronamine-d4 hydrochloride is a stable isotope-labeled internal standard used in studies of thyroid hormone metabolism, receptor binding assays, and metabolic pathway analysis. It is also known as T1AM-d4. The compound is used in analytical method development, quality control, and biomonitoring studies. The incorporation of deuterium allows for accurate quantification of 3-iodothyronamine in biological samples using mass spectrometry.
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| Molecular Formula |
C14H11D4CLINO2
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|---|---|
| Molecular Weight |
395.66
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| Exact Mass |
390.984
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| CAS # |
884320-54-1
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| Related CAS # |
3-Iodothyronamine hydrochloride;788824-64-6
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| PubChem CID |
11538486
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| Appearance |
White to off-white solid powder
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| LogP |
4.792
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
19
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| Complexity |
244
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])(C1=CC(=C(C=C1)OC2=CC=C(C=C2)O)I)C([2H])([2H])N.Cl
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| InChi Key |
RVKVVMXTPQCCIX-UVSTZUAESA-N
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| InChi Code |
InChI=1S/C14H14INO2.ClH/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12;/h1-6,9,17H,7-8,16H2;1H/i7D2,8D2;
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| Chemical Name |
4-[4-(2-amino-1,1,2,2-tetradeuterioethyl)-2-iodophenoxy]phenol;hydrochloride
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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 | 2.5274 mL | 12.6371 mL | 25.2742 mL | |
| 5 mM | 0.5055 mL | 2.5274 mL | 5.0548 mL | |
| 10 mM | 0.2527 mL | 1.2637 mL | 2.5274 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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