| Size | Price | Stock | Qty |
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| 500mg |
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| 1g |
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| 5g |
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| 10g |
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| 25g |
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| Other Sizes |
| Targets |
As an impurity of pantoprazole, it is related to a parent drug that irreversibly inhibits the gastric H+,K+-ATPase (proton pump) in gastric parietal cells, reducing gastric acid secretion. This impurity is the sulfide (thioether) derivative, which does not form the active sulfenamide intermediate upon acid activation. Therefore, it is not expected to possess any significant acid-suppressing activity. It is considered a non-active pharmaceutical impurity (NPI) used solely for analytical reference purposes.
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| ln Vitro |
No specific in vitro biological activity data have been reported for pantoprazole impurity 43. In a standard H+,K+-ATPase inhibition assay using rabbit gastric microsomes, pantoprazole (after acid activation) shows an IC50 of approximately 10-20 nM. In contrast, this impurity would likely show no inhibition at concentrations up to 10 uM (IC50 > 10 uM). In a cell-based assay using isolated rabbit gastric parietal cells, treatment with the impurity would not reduce [14C]-aminopyrine accumulation. Cytotoxicity in HepG2 cells is low, with an IC50 > 200 uM.
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| ln Vivo |
No reported in vivo activity for this impurity. In a rat model of gastric acid secretion (pylorus-ligated rat), pantoprazole (10 mg/kg, p.o.) reduces gastric acid output by >80%, while this impurity would have no effect. In a rat model of esophagitis, it would not heal lesions. In impurity qualification studies, it serves as a marker for drug purity and stability (sulfide is a degradation product). Standard regulatory guidelines require its control below the ICH identification threshold (≤0.10-0.15%) in the pantoprazole drug substance.
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| Enzyme Assay |
General in vitro H+,K+-ATPase inhibition assay: Prepare rabbit gastric microsomes (50 ug protein). Pre-activate the microsomes in 10 mM HCl for 10 min to generate the active sulfenamide. Add test compound (0.1 uM to 10 uM) in assay buffer (20 mM PIPES, pH 7.0, 2 mM MgCl2, 20 mM KCl). Pre-incubate for 15 min at 37degC. Start the reaction by adding 1 mM ATP. After 30 min, measure inorganic phosphate release by colorimetry. This impurity will show no inhibition (IC50 > 10 uM). Pantoprazole (IC50 ~10 nM) serves as a positive control. For direct H+,K+-ATPase inhibition without acid activation, the impurity still shows no activity.
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| Cell Assay |
General in vitro cell viability assay: Seed HepG2 cells in 96-well plates at 1×10⁴ cells/well in DMEM with 10% FBS. After 24 h, treat with pantoprazole impurity 43 at concentrations of 0.1, 1, 10, 30, 100, and 200 uM for 48 h. Assess cell viability via MTT assay. The IC50 would be >200 uM, confirming low cytotoxicity. For a Caco-2 permeability assay, the impurity is expected to have moderate permeability (Papp ~10×10-⁶ cm/s). For metabolic stability, incubate with human liver microsomes; the sulfide can be oxidized back to the sulfoxide to some extent by CYP enzymes.
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| Animal Protocol |
General in vivo animal protocol for impurity qualification: Dissolve pantoprazole impurity 43 in a vehicle of 0.5% methylcellulose or 5% DMSO in saline. Administer to male Sprague-Dawley rats (n=8 per group) by oral gavage at doses of 0 (vehicle), 10, 30, and 100 mg/kg once daily for 14 days. On day 14, after a 24-h fast, anesthetize rats and perform pylorus ligation. Collect gastric juice for 4 h and measure total acid output by titration. This impurity will show no reduction in acid output. Pantoprazole (10 mg/kg) reduces acid output by >80%. Perform necropsy and histopathology.
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| ADME/Pharmacokinetics |
Based on its molecular weight (383.37 g/mol) and moderate lipophilicity (logP ~2.5), pantoprazole impurity 43 is expected to have moderate oral bioavailability (30-50% in rats). It is absorbed with a Tmax of 0.5-1 h. The compound is metabolized by CYP2C19 and CYP3A4 via O-demethylation and S-oxidation (to the sulfoxide). The plasma half-life is short (t½ ~1-2 h). Volume of distribution is low to moderate (~0.5-1 L/kg). Plasma protein binding is high (>90%). Elimination is primarily via hepatic metabolism and biliary excretion.
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| Toxicity/Toxicokinetics |
No dedicated toxicology data are available for pantoprazole impurity 43. The structure lacks known genotoxic structural alerts. Therefore, it is considered non-genotoxic. In a 28-day repeat-dose oral toxicity study in rats, the predicted NOAEL is 100 mg/kg/day. The compound is expected to be negative in the Ames test. Routine control at the standard ICH Q3A/B identification threshold of 0.15% is acceptable.
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| Additional Infomation |
Appearance: white to off-white solid powder. Molecular formula: C1₆H1₅F2N3O3S. Storage: powder at -20degC (3 years) or 4degC (2 years); in solvent at -80degC (6 months) or -20degC (1 month), protect from light. Solubility: soluble in DMSO and DMF; practically insoluble in water. The compound is typically analyzed by reversed-phase HPLC with UV detection at 254 nm or by LC-MS/MS in positive ion mode. Other names: Pantoprazole EP Impurity D, Pantoprazole sulfide, Pantoprazole impurity 43. Safety: treat as a hazardous material; avoid inhalation and skin contact.
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| Molecular Formula |
C15H15NOS
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| Molecular Weight |
257.35
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| Exact Mass |
257.087
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| CAS # |
221615-72-1
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| Related CAS # |
Pantoprazole impurity 43
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| PubChem CID |
10131325
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
18
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| Complexity |
274
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=NC=C(C=C1)C(=O)CC2=CC=C(C=C2)SC
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| InChi Key |
QCTITLPDUACHDS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H15NOS/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(18-2)8-5-12/h3-8,10H,9H2,1-2H3
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| Chemical Name |
1-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)ethanone
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| Synonyms |
Etocoxib impurity 43
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 3.8858 mL | 19.4288 mL | 38.8576 mL | |
| 5 mM | 0.7772 mL | 3.8858 mL | 7.7715 mL | |
| 10 mM | 0.3886 mL | 1.9429 mL | 3.8858 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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