| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
H+/K+-ATPase (IC50 <100 nM). Also targets hERG potassium channel (IC50 = 18.69 microM).
|
|---|---|
| ln Vitro |
hERG potassium channels are inhibited by P-CAB agent 2 hydrochloride (100 µM) with an IC50 value of 18.69 M and an inhibition rate of 86.21%[1]< /sup>.
P-CAB agent 2 hydrochloride inhibits H+/K+-ATPase activity with an IC50 value of <100 nM. It also inhibits the hERG potassium channel with an IC50 of 18.69 microM. At 100 uM, it inhibits the hERG potassium channel by 86.21%. |
| ln Vivo |
Example 1 (P-CAB agent 2 hydrochloride) prevents SD rats from secreting stomach acid in response to histamine[1]. P-CAB agent 2 hydrochloride (600, 2000 mg/kg; po; once); no acute toxicity; the animal body weight of SD rats is not significantly affected by 600 mg/kg[1].
P-CAB agent 2 hydrochloride is orally active and effectively inhibits histamine-induced gastric acid secretion in vivo. It shows no acute toxicity. |
| 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.
|
| 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.
|
| 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.
|
| Toxicity/Toxicokinetics |
P-CAB agent 2 hydrochloride shows no acute toxicity in vivo. It is a research tool and not approved for human use. Cytotoxicity and safety pharmacology studies are needed for development as a drug candidate.
|
| References |
[1]. YinLin Qin, et al. Pyrrole sulfonyl derivative, and preparation method and medical use thereof. WO2016119505A1.
|
| Additional Infomation |
P-CAB agent 2 hydrochloride is a potassium-competitive acid blocker used as a research tool for studying gastric acid suppression. It offers advantages over proton pump inhibitors, such as rapid onset and reversible binding.
|
| Molecular Formula |
C22H26CLFN2O4S
|
|---|---|
| Molecular Weight |
468.969247341156
|
| Exact Mass |
468.128
|
| CAS # |
2209911-80-6
|
| Related CAS # |
P-CAB agent 2;1978371-23-1
|
| PubChem CID |
141515831
|
| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
31
|
| Complexity |
615
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
Cl.S(C1C=CC=C(C=1)OCCCOC)(N1C=C(CNC)C=C1C1C=CC=CC=1F)(=O)=O
|
| InChi Key |
JWWFXPUXOBHMCJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C22H25FN2O4S.ClH/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;1H
|
| Chemical Name |
1-[5-(2-fluorophenyl)-1-[3-(3-methoxypropoxy)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (213.23 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.33 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.5 mg/mL (5.33 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.33 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1323 mL | 10.6617 mL | 21.3233 mL | |
| 5 mM | 0.4265 mL | 2.1323 mL | 4.2647 mL | |
| 10 mM | 0.2132 mL | 1.0662 mL | 2.1323 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
