| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
As a labeled internal standard, it has no pharmacological target. Its function is to serve as a tracer for mass spectrometric detection. The parent drug, prucalopride, targets the 5‑HT₄ receptor with high affinity (pKi 8.6 for 5‑HT₄a and 8.1 for 5‑HT₄b), but the labeled version is not used for receptor binding studies. Its analytical target is the mass spectrometer, where it is monitored via specific MRM transitions (e.g., m/z 372 → 325 for the labeled form).
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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 [24].
The labeled compound exhibits no biological activity in vitro because it is an internal standard. It does not activate 5‑HT₄ receptors, nor does it affect cell signaling or motility. Its sole use is in analytical method validation. It is spiked into samples to correct for matrix effects and extraction losses. In comparative studies, it shows identical recovery and response to the unlabeled drug, confirming its suitability as an internal standard. |
| ln Vivo |
No in vivo activity is associated with this compound. It is not administered to animals as a pharmacologically active agent. In preclinical pharmacokinetic studies, it is added ex vivo to plasma or tissue samples to enable accurate drug quantification. It does not undergo metabolism or produce any pharmacological effect. Its presence in biological samples is purely for analytical reference.
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| Enzyme Assay |
Not applicable for receptor binding assays. For analytical use, a typical protocol involves preparing a stock solution in methanol (0.1 mg/mL) and diluting to working concentrations (5–50 ng/mL). A fixed volume (e.g., 20 µL) is added to 200 µL of plasma. Proteins are precipitated with acetonitrile containing the internal standard. After centrifugation, the supernatant is diluted with water and injected onto a C18 column with mobile phase (0.1% formic acid in water/acetonitrile). The labeled compound is detected via ESI‑MS/MS with specific MRM transitions.
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| Cell Assay |
Not applicable for cellular assays. In cell culture studies, the internal standard may be added to culture media to quantify prucalopride uptake or metabolism. Cells are incubated with prucalopride, and at various time points, medium is collected, spiked with the labeled standard, and processed for LC‑MS/MS. The internal standard corrects for variations in sample preparation. No functional cellular assays are performed with the labeled compound alone.
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| Animal Protocol |
Not applicable as a therapeutic. In animal pharmacokinetic studies, the compound is used as an internal standard in plasma samples collected from dosed animals. The protocol involves dosing animals with prucalopride, collecting blood, adding the labeled standard to plasma, and performing LC‑MS/MS analysis. The labeled compound itself is not administered to animals.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not relevant for the labeled standard. It is chemically stable under recommended storage (‑20°C). It is soluble in methanol and acetonitrile. Its isotopologue has the same logP (about 2.1) and pKa as prucalopride, ensuring identical chromatographic retention. The labeling does not affect its stability. It is typically supplied as a solid with purity ≥98%.
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| Toxicity/Toxicokinetics |
Toxicity data are not available; it is not intended for human exposure. Standard safety measures (gloves, goggles, lab coat) should be used. It may be harmful if swallowed or inhaled in large quantities. As a research chemical, it is not classified as hazardous under normal handling.
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| References |
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| Additional Infomation |
This labeled internal standard is widely used in bioanalytical method development for prucalopride. It is essential for regulatory studies (GLP) and is available from certified reference material suppliers. It is not for therapeutic use. The compound should be stored in a dry, dark place. Its high isotopic purity (≥99%) ensures minimal interference with the analyte. It is often used in combination with other labeled compounds for multiplexed assays.
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| Molecular Formula |
13CC17H23D3CLN3O3
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|---|---|
| Molecular Weight |
371.67
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| Exact Mass |
371.188
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| CAS # |
2140306-00-7
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| Related CAS # |
Prucalopride;179474-81-8
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| PubChem CID |
121225266
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| Appearance |
White to off-white solid powder
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| LogP |
2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
25
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| Complexity |
445
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C(NC2CCN(CCCO[13C]([2H])([2H])[2H])CC2)=O)=CC(Cl)=C(N)C2CCOC12
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| InChi Key |
ZPMNHBXQOOVQJL-KQORAOOSSA-N
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| InChi Code |
InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)/i1+1D3
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| Chemical Name |
4-amino-5-chloro-N-[1-[3-(trideuterio(113C)methoxy)propyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
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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 | 2.6906 mL | 13.4528 mL | 26.9056 mL | |
| 5 mM | 0.5381 mL | 2.6906 mL | 5.3811 mL | |
| 10 mM | 0.2691 mL | 1.3453 mL | 2.6906 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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