| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg | |||
| Other Sizes |
| Targets |
Pitofenone targets acetylcholinesterase (AChE), the enzyme responsible for breaking down the neurotransmitter acetylcholine. It inhibits AChE from bovine erythrocytes and electric eel with Ki values of 36 and 45 μM, respectively. By inhibiting AChE, it increases acetylcholine levels, which can lead to enhanced parasympathetic activity and smooth muscle relaxation, contributing to its antispasmodic effects.
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| ln Vitro |
Pitofenone inhibits acetylcholinesterase (AChE) activity in vitro. It inhibits AChE from bovine erythrocytes and electric eel with Ki values of 36 and 45 μM, respectively. It inhibits acetylcholine-induced contractions of isolated guinea pig ileum when used at a concentration of 2.5 μM. This confirms its antispasmodic activity.
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| ln Vivo |
Pitofenone is used in vivo as an antispasmodic agent. It is often used in combination with other drugs to treat gastrointestinal spasms. Its ability to inhibit AChE and reduce smooth muscle contractions contributes to its therapeutic effects in relieving spasms.
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| Enzyme Assay |
The primary in vitro assay for Pitofenone is an AChE enzyme activity assay. The enzyme is incubated with a substrate, such as acetylthiocholine, in the presence of varying concentrations of the compound. The hydrolysis of the substrate is measured, and the Ki values are determined from the dose-response curves.
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| Cell Assay |
In vitro cellular experiments for Pitofenone involve treating smooth muscle preparations, such as isolated guinea pig ileum, with the compound. The inhibition of acetylcholine-induced contractions is measured. Its effects on smooth muscle contractility are assessed using organ bath systems.
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| Animal Protocol |
In vivo animal experiments for Pitofenone would involve administering the compound to animal models of gastrointestinal spasms to assess its antispasmodic efficacy. Its effects on intestinal motility and smooth muscle contractions would be evaluated. However, specific in vivo data is limited.
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| ADME/Pharmacokinetics |
Pitofenone HCl has a molecular weight of 403.90 g/mol and a molecular formula of C22H26ClNO4. Its IUPAC name is methyl 2-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzoate hydrochloride. It is a solid. It is soluble in DMSO. It is typically stored at room temperature.
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| Toxicity/Toxicokinetics |
Pitofenone HCl is a research compound and is not intended for human use. Its toxicological profile is not extensively characterized in the available literature. As an AChE inhibitor, it may have cholinergic side effects. Standard safety precautions should be followed when handling.
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| References | |
| Additional Infomation |
Pitofenone hydrochloride is a spasmolytic compound that inhibits acetylcholinesterase (AChE). It is used as an antispasmodic agent, often in combination with other drugs. It inhibits AChE with Ki values of 36 and 45 μM for bovine erythrocyte and electric eel enzymes, respectively. It is available from various chemical suppliers for research purposes.
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| Molecular Formula |
C22H26CLNO4
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|---|---|
| Molecular Weight |
403.9
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| Exact Mass |
403.155
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| CAS # |
1248-42-6
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| Related CAS # |
54063-52-4;1248-42-6 (HCl);
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| PubChem CID |
121097
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| Appearance |
White to off-white solid powder
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| Boiling Point |
512ºC at 760 mmHg
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| Flash Point |
263.4ºC
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| Vapour Pressure |
1.35E-10mmHg at 25°C
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| LogP |
4.308
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
28
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| Complexity |
481
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ZRFIFDFEDPJBII-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H
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| Chemical Name |
methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride
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| Synonyms |
Baralginketone; Pitofenone HCl; Pitofenone hydrochloride
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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, 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) |
H2O : ~100 mg/mL (~247.59 mM)
DMSO : ~83.33 mg/mL (~206.31 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (4.13 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 16.7 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: ≥ 1.67 mg/mL (4.13 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 16.7 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: ≥ 1.67 mg/mL (4.13 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 | 2.4759 mL | 12.3793 mL | 24.7586 mL | |
| 5 mM | 0.4952 mL | 2.4759 mL | 4.9517 mL | |
| 10 mM | 0.2476 mL | 1.2379 mL | 2.4759 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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