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· · COA & SDS available for every product · Same-day shipping on in-stock items PF-4981517 - ≥98% , CAS No.1390637-82-7
Synonyms
DTXSID60747404 | PF 04981517 | PF-04981517 | (S)-1-methyl-3-(1-methyl-5-(p-tolyl)-1H-pyrazol-4-yl)-4-(3-(piperidin-1-yl)pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine | 1-Methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrol
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
DTXSID60747404 | PF 04981517 | PF-04981517 | (S)-1-methyl-3-(1-methyl-5-(p-tolyl)-1H-pyrazol-4-yl)-4-(3-(piperidin-1-yl)pyrrolidin-1-yl)-1H-pyrazolo[3, 4-d]pyrimidine | 1-Methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrol
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Potent and selective inhibitor of CYP3A4 (IC50values are 0.03, 17 and 70μM for CYP3A4, CYP3A5 and CYP3A7 respectively).
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 488202234 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488202234 Canonical Smiles CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CCC(C5)N6CCCCC6)C IUPAC Name 1-methyl-3-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidine InChIKey WDWIMDKOXZZYHH-FQEVSTJZSA-N 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 Isomeric SMILES CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CC[C@@H](C5)N6CCCCC6)C Molecular Weight 456.59 Reaxy-Rn 29238478 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29238478&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Pyrazolo[3,4-d]pyrimidines Dialkylarylamines Toluenes Aminopyrimidines and derivatives Piperidines Imidolactams Pyrrolidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylpyrazole - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Dialkylarylamine - Aminopyrimidine - Toluene - Imidolactam - Benzenoid - Monocyclic benzene moiety - Piperidine - Pyrimidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 45.66, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 9.13, Max Conc. mM: 20 Molecular Weight 456.600 g/mol XLogP3 3.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 456.275 Da Monoisotopic Mass 456.275 Da Topological Polar Surface Area 67.900 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 678.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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