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Synonyms
CDK2 inhibitor 73Benzenesulfonamide,4-[(6-[1,1'-biphenyl]-3-yl-9H-purin-2-yl)amino]-
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
Overview
Targets
Cdk2/cyclin A (Cell-free assay) 44 nM
Specifications Synonyms
CDK2 inhibitor 73Benzenesulfonamide, 4-[(6-[1, 1'-biphenyl]-3-yl-9H-purin-2-yl)amino]-
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
CDK2-IN-73 (CDK2-IN-4, CDK2 inhibitor 73) is a potent and selective inhibitor of CDK2 with IC50 of 44 nM for CDK2/cyclin A.
Storage
Protected from light, Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C4C(=NC(=N3)NC5=CC=C(C=C5)S(=O)(=O)N)N=CN4 IUPAC Name 4-[[6-(3-phenylphenyl)-7H-purin-2-yl]amino]benzenesulfonamide InChIKey FUGRWXRQJGJIER-UHFFFAOYSA-N INCHI 1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29) Isomeric SMILES C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C4C(=NC(=N3)NC5=CC=C(C=C5)S(=O)(=O)N)N=CN4 PubChem CID 123132899 Molecular Weight 442.49
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Phenylpyrimidines Alternative Parents Biphenyls and derivatives Benzenesulfonamides Purines and purine derivatives Benzenesulfonyl compounds Aniline and substituted anilines Aminopyrimidines and derivatives Organosulfonamides Imidazoles Heteroaromatic compounds Aminosulfonyl compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 5-phenylpyrimidine - 4-phenylpyrimidine - Biphenyl - Benzenesulfonamide - Benzenesulfonyl group - Purine - Imidazopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Azole - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solubility (25°C) In vitro DMSO: 88 mg/mL (198.87 mM); Water: Insoluble; Ethanol: Insoluble; Sensitivity Moisture sensitive; Light sensitive Molecular Weight 442.500 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 442.121 Da Monoisotopic Mass 442.121 Da Topological Polar Surface Area 135.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 716.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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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