| 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 |
(Rac)-Atropine-d3 shares the same molecular target as its non-deuterated form, atropine. Atropine is a competitive antagonist of muscarinic acetylcholine receptors (mAChRs), blocking the action of acetylcholine at these receptors. It has a higher affinity for M1, M2, and M3 receptor subtypes. Atropine is used clinically as a mydriatic, antispasmodic, and antidote for organophosphate poisoning. The labeled compound is used as a tracer to study the pharmacokinetics and metabolism of atropine.
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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 atropine. Atropine is a potent muscarinic receptor antagonist that inhibits acetylcholine-induced signaling in vitro. The labeled compound is used as an internal standard for quantifying atropine in biological samples, not for evaluating its own pharmacological activity. |
| ln Vivo |
(Rac)-Atropine-d3 is not used as a therapeutic agent; its non-deuterated form, atropine, is a clinically used muscarinic receptor antagonist. In vivo, atropine is well-absorbed after oral or parenteral administration and has a half-life of approximately 2-4 hours. It is metabolized in the liver and excreted in urine. The labeled compound is used in pharmacokinetic studies to accurately measure atropine concentrations in plasma and other biological matrices.
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| Enzyme Assay |
In vitro receptor binding assays for (rac)-atropine-d3 are not standard, as it is an analytical standard. The muscarinic receptor antagonism of its non-deuterated form is assessed using competition binding assays with radiolabeled ligands such as [³H]N-methylscopolamine. The labeled compound is used as an internal standard for LC-MS/MS analysis of atropine concentrations in biological samples. Quality control includes purity analysis (>95%).
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| Cell Assay |
In vitro cell culture experiments are not performed with (rac)-atropine-d3. When studying the effects of atropine in cellular systems, the non-labeled compound is used. Cells expressing muscarinic receptors are treated with atropine, and acetylcholine-induced calcium mobilization or other signaling pathways are measured. The labeled compound is used as an internal standard for LC-MS/MS analysis.
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| Animal Protocol |
In vivo animal studies are not conducted with (rac)-atropine-d3. When used in pharmacokinetic studies, the labeled compound serves as an internal standard for the quantification of atropine in animal plasma or tissue samples. In typical protocols, animals are administered atropine, 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 (rac)-atropine-d3 itself are not characterized, as it is not a drug substance. Atropine has a bioavailability of approximately 50% after oral administration, with a half-life of 2-4 hours in humans. It is metabolized in the liver and excreted in urine. The deuterated compound is used as an internal standard to accurately quantify atropine in pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
(Rac)-Atropine-d3 is not a therapeutic agent and has not been evaluated for toxicity in humans. Its non-deuterated form, atropine, is a well-established drug with a well-known safety profile. The deuterated compound is for research use only and should be handled with standard laboratory precautions.
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| References | |
| Additional Infomation |
(Rac)-Atropine-d3 is a stable isotope-labeled internal standard used in pharmacokinetic and metabolic studies of atropine. It is also known as (rac)-tropine tropate-d3 and (rac)-hyoscyamine-d3. The compound is used in analytical method development, method validation, and quality control applications. The incorporation of deuterium allows for accurate quantification of atropine in biological samples using mass spectrometry.
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| Molecular Formula |
C17H20D3NO3
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|---|---|
| Molecular Weight |
292.39
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| Exact Mass |
292.186
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| CAS # |
1276197-36-4
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| Related CAS # |
Atropine;51-55-8
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| PubChem CID |
162641998
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| Appearance |
White to off-white solid powder
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| Melting Point |
113 - 115°C
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| LogP |
1.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
21
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| Complexity |
353
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])N1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
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| InChi Key |
RKUNBYITZUJHSG-FIBGUPNXSA-N
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| InChi Code |
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/i1D3
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| Chemical Name |
[8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
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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) |
Ethanol: ≥ 16 mg/mL (~54.7 mM)
DMSO: ≥ 10 mg/mL (~34.2 mM) DMF: ≥ 2 mg/mL (~6.8 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (4.28 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1.25 mg/mL (4.28 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 DMSO stock solution (12.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 1.25 mg/mL (4.28 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (12.5 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.4201 mL | 17.1004 mL | 34.2009 mL | |
| 5 mM | 0.6840 mL | 3.4201 mL | 6.8402 mL | |
| 10 mM | 0.3420 mL | 1.7100 mL | 3.4201 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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