PF-4981517

Alias: CYP3cide, PF-04981517;CYP3 cide, PF-4981517; PF 04981517; PF04981517,CYP-3cide,PF 4981517;PF4981517;
Cat No.:V0816 Purity: ≥98%
PF-4981517 (also named as PF 04981517; PF04981517,CYP-3cide,PF 4981517;PF4981517) is a specific andtime-dependent inactivator of human CYP3A4(P450) with IC50 of 0.03 μM, it exhibits >500-fold selectivity for inhibiting CYP3A4 over CYP3A5 and CYP3A7 and a time-dependent inactivation of human CYP3A4.
PF-4981517 Chemical Structure CAS No.: 1390637-82-7
Product category: P450 (e.g. CYP)
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

PF-4981517 (also named as PF 04981517; PF04981517, CYP-3cide, PF 4981517; PF4981517) is a specific and time-dependent inactivator of human CYP3A4 (P450) with IC50 of 0.03 μM, it exhibits >500-fold selectivity for inhibiting CYP3A4 over CYP3A5 and CYP3A7 and a time-dependent inactivation of human CYP3A4.

Biological Activity I Assay Protocols (From Reference)
ln Vitro
Using human liver microsomes from donors with nonfunctioning CYP3A5 (CYP3A5 *3/*3), an extraordinary metabolic inactivation efficiency (kinact/KI) of 3300 to 3800 ml • min-1 • μmol-1 is observed when examining the inhibitory characteristics of CYP3cide. This efficiency was found to correspond to an apparent KI of 420–480 nM and a maximal inactivation rate (kinact) of 1.6 min-1. The connection between CYP3A5 abundance and the remaining midazolam 1'-hydroxylase activity is strong when CYP3cide is assessed in a library of genotyped polymorphic CYP3A5 microsomes at a concentration and preincubation period that totally inhibits CYP3A4[1].
ln Vivo

Animal Protocol


References
[1]. Robert L Walsky, et al. 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. Drug Metab Dispos. 2012 Sep;40(9):1686-97.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C26H32N8
Molecular Weight
456.59
CAS #
1390637-82-7
SMILES
CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C)C4=C3C(=NC=N4)N5CC[C@@H](C5)N6CCCCC6
Synonyms
CYP3cide, PF-04981517;CYP3 cide, PF-4981517; PF 04981517; PF04981517,CYP-3cide,PF 4981517;PF4981517;
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 Data
Solubility (In Vitro)
DMSO: 91 mg/mL (199.3 mM)
Water:<1 mg/mL
Ethanol:<1 mg/mL
Solubility (In Vivo)

Chemical Name: 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

InChi Key: WDWIMDKOXZZYHH-FQEVSTJZSA-N

InChi Code: InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1

SMILES Code: CC1=CC=C(C2=C(C3=NN(C)C4=NC=NC(N5C[C@@H](N6CCCCC6)CC5)=C43)C=NN2C)C=C1

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.1901 mL 10.9507 mL 21.9015 mL
5 mM 0.4380 mL 2.1901 mL 4.3803 mL
10 mM 0.2190 mL 1.0951 mL 2.1901 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.

Calculator

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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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.
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Biological Data
  • PF-4981517

    A, impact of CYP3cide (PF-4981517)on midazolam 1′-hydroxylase activity across a range of liver microsomes from genotyped donors.Drug Metab Dispos.2012 Sep;40(9):1686-97.
  • PF-4981517

    Relationship between inhibition of midazolam 1′-hydroxylase activity and CYP3cide concentration in genotyped CYP3A5 *3/*3 HLM (HH101) at varying microsomal protein concentrations ranging from 0.1 to 10 mg/ml.Drug Metab Dispos.2012 Sep;40(9):1686-97.
  • PF-4981517

    Impact of CYP3cide and ketoconazole on the consumption of midazolam (A), tacrolimus (B), and otenabant (C) in HLM from donors of genotyped CYP3A5 *1/*1 (red), *1/*3 (blue), and *3/*3 (yellow).Drug Metab Dispos.2012 Sep;40(9):1686-97.
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