WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H551013
CAS#: 1390637-82-7
Description: PF-04981517, also known as CYP3cide, is a potent and selective time dependent inactivator of Cytochrome P450 3A4 (CYP3A4). CYP3cide 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.
Hodoodo Cat#: H551013
Name: PF-04981517
CAS#: 1390637-82-7
Chemical Formula: C26H32N8
Exact Mass: 456.28
Molecular Weight: 456.598
Elemental Analysis: C, 68.39; H, 7.06; N, 24.54
Related CAS #: 1390637-82-7
Synonym: CYP3cide, PF-4981517; PF-04981517; PF 04981517; PF04981517.
IUPAC/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
Appearance: white to beige solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 456.60 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Dorr CR, Remmel RP, Muthusamy A, Fisher J, Moriarity B, Yasuda K, Wu B, Guan W, Schuetz EG, Oetting WS, Jacobson PA, Israni AK. CRISPR/Cas9 genetic modification of CYP3A5 *3 in HuH-7 human hepatocyte cell line leads to cell lines with increased midazolam and tacrolimus metabolism. Drug Metab Dispos. 2017 May 22. pii: dmd.117.076307. doi: 10.1124/dmd.117.076307. [Epub ahead of print] PubMed PMID: 28533324.
2: Verbueken E, Alsop D, Saad MA, Pype C, Van Peer EM, Casteleyn CR, Van Ginneken CJ, Wilson J, Van Cruchten SJ. In Vitro Biotransformation of Two Human CYP3A Probe Substrates and Their Inhibition during Early Zebrafish Development. Int J Mol Sci. 2017 Jan 22;18(1). pii: E217. doi: 10.3390/ijms18010217. PubMed PMID: 28117738; PubMed Central PMCID: PMC5297846.
3: Zhuang X, Zhang T, Yue S, Wang J, Luo H, Zhang Y, Li Z, Che J, Yang H, Li H, Zhu M, Lu C. Allosteric activation of midazolam CYP3A5 hydroxylase activity by icotinib - Enhancement by ketoconazole. Biochem Pharmacol. 2016 Dec 1;121:67-77. doi: 10.1016/j.bcp.2016.09.012. Epub 2016 Sep 22. PubMed PMID: 27666601.
4: Towles JK, Clark RN, Wahlin MD, Uttamsingh V, Rettie AE, Jackson KD. Cytochrome P450 3A4 and CYP3A5-Catalyzed Bioactivation of Lapatinib. Drug Metab Dispos. 2016 Oct;44(10):1584-97. doi: 10.1124/dmd.116.070839. Epub 2016 Jul 22. PubMed PMID: 27450182; PubMed Central PMCID: PMC5034700.
5: Yang X, Atkinson K, Di L. Novel Cytochrome P450 Reaction Phenotyping for Low-Clearance Compounds Using the Hepatocyte Relay Method. Drug Metab Dispos. 2016 Mar;44(3):460-5. doi: 10.1124/dmd.115.067876. Epub 2015 Dec 23. PubMed PMID: 26700955.
6: Zientek MA, Goosen TC, Tseng E, Lin J, Bauman JN, Walker GS, Kang P, Jiang Y, Freiwald S, Neul D, Smith BJ. In Vitro Kinetic Characterization of Axitinib Metabolism. Drug Metab Dispos. 2016 Jan;44(1):102-14. doi: 10.1124/dmd.115.065615. Epub 2015 Oct 28. PubMed PMID: 26512042.
7: Van Peer E, De Bock L, Boussery K, Van Bocxlaer J, Casteleyn C, Van Ginneken C, Van Cruchten S. Age-related Differences in CYP3A Abundance and Activity in the Liver of the Göttingen Minipig. Basic Clin Pharmacol Toxicol. 2015 Nov;117(5):350-7. doi: 10.1111/bcpt.12410. Epub 2015 May 18. PubMed PMID: 25892190.
8: Tseng E, Walsky RL, Luzietti RA Jr, Harris JJ, Kosa RE, Goosen TC, Zientek MA, Obach RS. Relative contributions of cytochrome CYP3A4 versus CYP3A5 for CYP3A-cleared drugs assessed in vitro using a CYP3A4-selective inactivator (CYP3cide). Drug Metab Dispos. 2014 Jul;42(7):1163-73. doi: 10.1124/dmd.114.057000. Epub 2014 Apr 15. PubMed PMID: 24737844.
9: Zhu Y, Wang F, Li Q, Zhu M, Du A, Tang W, Chen W. Amlodipine metabolism in human liver microsomes and roles of CYP3A4/5 in the dihydropyridine dehydrogenation. Drug Metab Dispos. 2014 Feb;42(2):245-9. doi: 10.1124/dmd.113.055400. Epub 2013 Dec 3. PubMed PMID: 24301608.
10: Walsky RL, Obach RS, Hyland R, Kang P, Zhou S, West M, Geoghegan KF, Helal CJ, Walker GS, Goosen TC, Zientek MA. 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. doi: 10.1124/dmd.112.045302. Epub 2012 May 29. PubMed PMID: 22645092.
