1390637-82-7

Basic information

• Product Name: PF-04981517
• Synonyms: CYP3cide;PF-04981517;PF-4981517;1H-Pyrazolo[3,4-d]pyrimidine, 1-methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-(1-piperidinyl)-1-pyrrolidinyl]-;1-Methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine;1-methyl-3-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidine
• CAS NO: 1390637-82-7
• Molecular Formula: C₂₆H₃₂N₈
• Molecular Weight: 456.58588
• Product Categories: Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Pfizer Compounds;Pharmaceuticals;Inhibitor;Heterocycles, Inhibitors, Pfizer Compounds, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 1390637-82-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Storage Temp.: room temp
• Solubility: Soluble in DMSO
• CAS DataBase Reference: PF-04981517(CAS DataBase Reference)
• NIST Chemistry Reference: PF-04981517(1390637-82-7)
• EPA Substance Registry System: PF-04981517(1390637-82-7)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 1390637-82-7(Hazardous Substances Data)

Usage

Description

PF-04981517, also known as CYP3cide, is a potent and selective time-dependent inactivator of Cytochrome P450 3A4 (CYP3A4). CYP3A4 is an essential enzyme involved in the metabolism of xenobiotics in the human body, accounting for approximately a quarter of all CYPs. PF-04981517 is a white to off-white solid and serves as a valuable in vitro tool for distinguishing the individual roles of CYP3A4 and CYP3A5 in drug metabolism.

Uses

Used in Pharmaceutical Research:
PF-04981517 is used as a research tool for studying the role of CYP3A4 in the metabolism of drugs. It helps researchers understand the interactions between drugs and the CYP3A4 enzyme, which is crucial for drug development and optimization.
Used in Drug Metabolism Studies:
PF-04981517 is used as an in vitro tool to define the individual roles of CYP3A4 and CYP3A5 in the metabolism of drugs. This information is vital for understanding drug-drug interactions and predicting potential side effects or toxicity.
Used in Drug Safety Assessment:
PF-04981517 is used as a safety assessment tool to evaluate the potential risks associated with the inhibition of CYP3A4 during drug development. This helps in identifying potential drug candidates that may cause adverse effects due to CYP3A4 inhibition.
Used in Drug Interaction Prediction:
PF-04981517 is used to predict potential drug-drug interactions by assessing the impact of one drug on the metabolism of another through the inhibition of CYP3A4. This information is essential for designing drug combinations and managing patient medications to minimize adverse effects.
Used in Drug Design and Optimization:
PF-04981517 is used in the design and optimization of new drugs by providing insights into the interactions between drug candidates and the CYP3A4 enzyme. This helps in developing drugs with improved efficacy and reduced potential for drug-drug interactions.
Used in Toxicology Studies:
PF-04981517 is used in toxicology studies to evaluate the potential toxic effects of drugs on the CYP3A4 enzyme. This information is crucial for assessing the safety of new drug candidates and understanding the mechanisms of drug-induced toxicity.

Biological Activity

pf-4981517, also named cyp3cide, is a potent, efficient, and specific time-dependent inactivator of human cyp3a4. pf-4981517 is a very useful tool for understanding the relative roles of cyp3a4 versus cyp3a5 and the impact of cyp3a5 genetic polymorphism on a compound's pharmacokinetics. pf-4981517 is a lipophilic compound with a pka which will render it cationic at physiological ph. thus, it is possible that if incubate with high concentrations of microsomes, it can nonspecifically partition into microsomal phospholipid, and its apparent potency will be reduced. pf-4981517 should be useful to investigators seeking to delineate the relative contribution of cyp3a4 versus cyp3a5 in the metabolism of compounds cleared by cyp3a.robert l. walsky, r. scott obach, ruth hyland, ping kang, sue zhou, michael west, kieran f. geoghegan, christopher j. helal, gregory s. walker, theunis c. goosen and michael a. zientek. selective mechanism-based inactivation of cyp3a4 by cyp3cide (pf-04981517) and its utility as an in vitro tool for delineating the relative roles of cyp3a4 versus cyp3a5 in the metabolism of drugs. dmd september 2012 vol. 40 no. 9 1686-1697.

Biochem/physiol Actions

CYP3cide is a mechanism-based inhibitor of cytochrome P4503A4 that can be used to distinguish the contributions of CYP3A4 versus CYP3A5 on drug metabolism. The IC50 values for inhibition of Midazolam 1′-Hydroxylase activity of recombinant CYP3A4 and CYP3A5 by CYP3cide are 0.3 and 17 mM, respectively.

Upstream product

• 1415637-98-7 (4,6-dichloropyrimidin-5-yl)(1-methyl-5-(p-tolyl)-1H-pyrazol-4-yl)methanol 
• 1415637-99-8 (4,6-dichloropyrimidin-5-yl)(1-methyl-5-(p-tolyl)-1H-pyrazol-4-yl)methanone 
• 73387-56-1 1-methyl-5-(4-methylphenyl)-1H-pyrazole 
• 689250-61-1 1-methyl-5-(p-tolyl)-1H-pyrazole-4-carbaldehyde 
• 1415638-19-5 {4-chloro-6-[(3S)-3-(piperidin-1-yl)pyrrolidin-1-yl]pyrimidin-5-yl}[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]methanone 
• 60-34-4 methylhydrazine 

Relevant articles and documents

PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS

The present invention provides, inter alia, compounds of Formula (I) and pharmaceutically acceptable salts thereof, to processes for the preparation of, intermediates used in the preparation of, and compositions containing such compounds and the uses of such compounds as a method for the treatment of a disease or condition selected from the group consisting of central nervous system disorders, cognitive disorders, schizophrenia, dementia and other disorders in a mammal. The present invention further provides compounds of Formula (Id) and pharmaceutically acceptable salts thereof as CYP3A4 selective inhibitors.