| 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 |
H+/K+-ATPase (IC50 <100 nM). Also targets hERG potassium channel (IC50 = 18.69 microM).
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|---|---|
| ln Vitro |
With an IC50 value of 18.69 M and an inhibition rate of 86.21%, P-CAB agent 2 (100 µM) inhibits hERG potassium channels[1]< /sup>.
P-CAB agent 2 inhibits H+/K+-ATPase activity with an IC50 of <100 nM. It also inhibits the hERG potassium channel with an IC50 of 18.69 M. It shows no acute toxicity. |
| ln Vivo |
In SD rats, histamine-induced stomach acid production is inhibited by P-CAB agent 2 (example 1)[1]. The body weight of SD rats is not significantly affected by P-CAB agent 2 (600, 2000 mg/kg; po; once) in terms of acute toxicity[1].
P-CAB agent 2 is orally active and inhibits histamine-induced gastric acid secretion in vivo. In SD rats, P-CAB agent 2 (example 1) effectively curbs histamine-induced gastric acid secretion. |
| Enzyme Assay |
The compound is incubated with H+/K+-ATPase (purified from gastric mucosa or expressed in insect cells) in a buffer containing KCl and the ATP-regeneration system. After incubation, the released inorganic phosphate is measured colorimetrically to calculate the IC50.
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| Cell Assay |
For cellular assays, primary rabbit gastric parietal cells are isolated and cultured. The compound is added to the culture medium for 30 minutes, and acid production is assessed by measuring the accumulation of the weak base 14C-aminopyrine (AP). The IC50 is determined from the dose-response curve.
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| Animal Protocol |
Animal/Disease Models: 180-220 g, SPF grade, male SD rats[1]
Doses: 2 mg/kg Route of Administration: Po; once Experimental Results: Inhibited histamine-induced gastric acid secretion with the acid suppression rate of 55.4%. For in vivo efficacy, male Sprague-Dawley rats are fasted and then administered the compound orally. Gastric acid secretion is stimulated by histamine infusion, and the gastric contents are collected to measure total acid output. |
| ADME/Pharmacokinetics |
The compound is well absorbed after oral administration. Its high plasma protein binding and moderate clearance contribute to a half-life that supports once-daily dosing. Its distribution is likely extensive due to its moderate lipophilicity.
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| Toxicity/Toxicokinetics |
P-CAB agent 2 shows no acute toxicity in vivo. P-CAB agent 2 (600, 2000 mg/kg; p.o.; once) shows no acute toxicity, and 600 mg/kg shows no significant effect on animal body weight in SD rats.
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| References |
[1]. YinLin Qin, et al. Pyrrole sulfonyl derivative, and preparation method and medical use thereof. WO2016119505A1.
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| Additional Infomation |
P-CAB agent 2 is a research tool for studying gastric acid suppression. It belongs to the class of potassium-competitive acid blockers, which offer advantages over proton pump inhibitors, such as a rapid onset of action, reversible binding, and more consistent acid suppression.
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| Molecular Formula |
C22H25FN2O4S
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|---|---|
| Molecular Weight |
432.508308172226
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| Exact Mass |
432.151
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| CAS # |
1978371-23-1
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| Related CAS # |
P-CAB agent 2 hydrochloride;2209911-80-6
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| PubChem CID |
132164139
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
30
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| Complexity |
615
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)OCCCOC
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| InChi Key |
UDHVRDAZIAGHFG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H25FN2O4S/c1-24-15-17-13-22(20-9-3-4-10-21(20)23)25(16-17)30(26,27)19-8-5-7-18(14-19)29-12-6-11-28-2/h3-5,7-10,13-14,16,24H,6,11-12,15H2,1-2H3
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| Chemical Name |
1-[5-(2-fluorophenyl)-1-[3-(3-methoxypropoxy)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
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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 | 2.3121 mL | 11.5604 mL | 23.1209 mL | |
| 5 mM | 0.4624 mL | 2.3121 mL | 4.6242 mL | |
| 10 mM | 0.2312 mL | 1.1560 mL | 2.3121 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.
Link: https://clinicaltrials.gov/ct2/show/NCT06851468
Conditions:Helicobacter PyloriLink: https://clinicaltrials.gov/ct2/show/NCT07122024
Conditions:Helicobacter PyloriLink: https://clinicaltrials.gov/ct2/show/NCT06777732
Conditions:Helicobacter Pylori Infection
Title:Optimization of Keverprazan-amoxicilli Dual Therapy for Helicobacter Pylori
Status:Not yet recruiting
updateDate:2024-05-14
Ctid:NCT06412640
Link: https://clinicaltrials.gov/ct2/show/NCT06412640
Conditions:H. Pylori InfectionProducts are for research use only; We do not sell to patients
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