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· · COA & SDS available for every product · Same-day shipping on in-stock items Benzamide, 3-((1E)-2-(6-(cyclopropylamino)-9H-purin-9-yl)ethenyl)-4-methyl-N-(4-(trifluoromethyl)-2-pyridinyl)- , CAS No.926922-22-7
Synonyms
AP-24226 | AP24226 | UNII-53D46B0TIH | Benzamide, 3-((1E)-2-(6-(cyclopropylamino)-9H-purin-9-yl)ethenyl)-4-methyl-N-(4-(trifluoromethyl)-2-pyridinyl)- | 53D46B0TIH | PPHMKXKASWTCSZ-VQHVLOKHSA-N | BDBM50294010 | AKOS040750537 | 3-[(E)-2-[6-(cyclopropylamin
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
AP-24226 | AP24226 | UNII-53D46B0TIH | Benzamide, 3-((1E)-2-(6-(cyclopropylamino)-9H-purin-9-yl)ethenyl)-4-methyl-N-(4-(trifluoromethyl)-2-pyridinyl)- | 53D46B0TIH | PPHMKXKASWTCSZ-VQHVLOKHSA-N | BDBM50294010 | AKOS040750537 | 3-[(E)-2-[6-(cyclopropylamin
Product Properties Names and Identifiers Canonical Smiles CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C=CN3C=NC4=C(N=CN=C43)NC5CC5 IUPAC Name 3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide InChIKey PPHMKXKASWTCSZ-VQHVLOKHSA-N INCHI 1S/C24H20F3N7O/c1-14-2-3-16(23(35)33-19-11-17(6-8-28-19)24(25,26)27)10-15(14)7-9-34-13-31-20-21(32-18-4-5-18)29-12-30-22(20)34/h2-3,6-13,18H,4-5H2,1H3,(H,28,33,35)(H,29,30,32)/b9-7+ Isomeric SMILES CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)/C=C/N3C=NC4=C(N=CN=C43)NC5CC5 PubChem CID 25210550 Molecular Weight 479.5
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 Imidazopyrimidines Subclass Purines and purine derivatives Intermediate Tree Nodes 6-aminopurines Direct Parent 6-alkylaminopurines Alternative Parents p-Toluamides Benzamides Styrenes Benzoyl derivatives Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Amines Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organic oxides Organofluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents 6-alkylaminopurine - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Styrene - Aminopyrimidine - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 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 Molecular Weight 479.500 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 6 Exact Mass 479.168 Da Monoisotopic Mass 479.168 Da Topological Polar Surface Area 97.600 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 777.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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