| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
N-Desmethyl Pimavanserin targets the serotonin 5-HT2A receptor, acting as an inverse agonist/antagonist. Pimavanserin, the parent drug, is a selective inverse agonist of the 5-HT2A receptor with pIC50 and pKd of 8.73 and 9.3, respectively. This metabolite retains high affinity for the 5-HT2A receptor and is critical for the therapeutic effects in neurological and psychiatric disorders.
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| ln Vitro |
Pimavanserin and its metabolite N-Desmethyl Pimavanserin (AC-279) have mean plasma half-lives of 57 hours and 200 hours, respectively.
N-Desmethyl Pimavanserin is the active metabolite of Pimavanserin and retains high affinity for the 5-HT2A receptor. Pimavanserin is a selective inverse agonist of the 5-HT2A receptor with pIC50 and pKd of 8.73 and 9.3, respectively. The metabolite contributes significantly to the overall pharmacological activity of the parent drug. |
| ln Vivo |
N-Desmethyl Pimavanserin contributes to the in vivo pharmacological activity of Pimavanserin. Pimavanserin is approved for the treatment of Parkinson's disease psychosis. The metabolite is characterized in pharmacokinetic and metabolic studies to evaluate drug metabolism, receptor binding, and therapeutic exposure.
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| Enzyme Assay |
In vitro receptor binding assays for N-Desmethyl Pimavanserin typically involve radioligand binding studies using membrane preparations expressing the 5-HT2A receptor. The receptor is incubated with increasing concentrations of the compound and a fixed concentration of a radiolabeled 5-HT2A ligand. Bound and free radioligand are separated by filtration, and radioactivity is measured by scintillation counting. IC50 values are calculated from dose-response curves, and Ki values are derived using the Cheng-Prusoff equation.
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| Cell Assay |
For in vitro cell-based assays, cells expressing the 5-HT2A receptor are cultured and treated with N-Desmethyl Pimavanserin at various concentrations. Receptor activation or inhibition is measured by quantifying intracellular calcium mobilization or other downstream signaling pathways. The compound's inverse agonist activity can be assessed by measuring its ability to reduce constitutive receptor activity. Cell viability is assessed by standard assays such as MTT.
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| Animal Protocol |
In vivo animal studies with N-Desmethyl Pimavanserin are typically conducted in the context of Pimavanserin pharmacology. Rodent models of psychosis or behavioral paradigms are used to assess the compound's effects. The compound is administered orally or intraperitoneally, and behavioral observations are conducted. Brain tissue is collected for neurochemical analysis, and receptor occupancy can be measured using autoradiography or PET imaging.
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| ADME/Pharmacokinetics |
N-Desmethyl Pimavanserin (CAS: 639863-77-7) has a molecular weight of 413.53 g/mol and a molecular formula of C24H32FN3O2. The compound is soluble in DMSO (~125 mg/mL). Storage recommendations: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month. It is a reference standard for pharmacokinetic and metabolic studies.
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| Toxicity/Toxicokinetics |
N-Desmethyl Pimavanserin is a research compound and is not approved for human therapeutic use. As the active metabolite of an approved drug, its toxicity profile is expected to be similar to Pimavanserin, but formal toxicology studies are typically not performed on the metabolite. Pimavanserin is generally well-tolerated, with common side effects including peripheral edema, nausea, and confusion. The compound is intended for research and analytical use only.
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| References | |
| Additional Infomation |
N-Desmethyl Pimavanserin (AC-279) is the major active metabolite of Pimavanserin, a selective 5-HT2A receptor inverse agonist approved for the treatment of Parkinson's disease psychosis. It is also known as AC-279 and has the CAS number 639863-77-7. The compound is widely used as a reference standard in pharmacokinetic, metabolic, and bioanalytical studies. It is not an FDA-approved drug and is intended for research use only.
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| Molecular Formula |
C24H32FN3O2
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|---|---|
| Molecular Weight |
413.528189659119
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| Exact Mass |
413.247
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| CAS # |
639863-77-7
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| PubChem CID |
25207724
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| Appearance |
White to off-white solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
30
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| Complexity |
497
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C=CC(=CC=1)CN(C(NCC1C=CC(=CC=1)OCC(C)C)=O)C1CCNCC1
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| InChi Key |
CJAUQHPXNICIJI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H32FN3O2/c1-18(2)17-30-23-9-5-19(6-10-23)15-27-24(29)28(22-11-13-26-14-12-22)16-20-3-7-21(25)8-4-20/h3-10,18,22,26H,11-17H2,1-2H3,(H,27,29)
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| Chemical Name |
1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]-1-piperidin-4-ylurea
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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) |
DMSO : ~125 mg/mL (~302.28 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.03 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 20.8 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: ≥ 2.08 mg/mL (5.03 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 20.8 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: ≥ 2.08 mg/mL (5.03 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 | 2.4182 mL | 12.0910 mL | 24.1820 mL | |
| 5 mM | 0.4836 mL | 2.4182 mL | 4.8364 mL | |
| 10 mM | 0.2418 mL | 1.2091 mL | 2.4182 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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