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· · COA & SDS available for every product · Same-day shipping on in-stock items PF 04479745 - ≥98%(HPLC) , CAS No.1065110-43-1
Synonyms
5H-Pyrimido(4,5-d)azepin-4-amine, 6,7,8,9-tetrahydro-N,9-dimethyl-2-(phenylmethyl)-, (9S)- | NCGC00485020-01 | PF-4479745 | 73HBY5P486 | HY-118339 | (9S)-6,7,8,9-Tetrahydro-N,9-dimethyl-2-(phenylmethyl)-5H-pyrimido(4,5-d)azepin-4-amine | DTXSID701336532 |
Shipped In
Ice chest + Ice pads
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Why this grade ≥98%(HPLC) 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
5H-Pyrimido(4, 5-d)azepin-4-amine, 6, 7, 8, 9-tetrahydro-N, 9-dimethyl-2-(phenylmethyl)-, (9S)- | NCGC00485020-01 | PF-4479745 | 73HBY5P486 | HY-118339 | (9S)-6, 7, 8, 9-Tetrahydro-N, 9-dimethyl-2-(phenylmethyl)-5H-pyrimido(4, 5-d)azepin-4-amine | DTXSID701336532 |
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Potent and selective 5-HT2Cagonist (EC50= 10 nM). Exhibits > 100-fold selectivity over a panel of 90 receptors, enzymes and ion channels, except for 5-HT2A(IC50= 360 nM antagonist), 5-HT2B(EC50= 67 nM antagonist), 5-HT1Aand 5-HT6(functional activity not
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 CC1CNCCC2=C1N=C(N=C2NC)CC3=CC=CC=C3 IUPAC Name (9S)-2-benzyl-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine InChIKey IHHALLDEDARSAL-LBPRGKRZSA-N INCHI 1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1 Isomeric SMILES C[C@H]1CNCCC2=C1N=C(N=C2NC)CC3=CC=CC=C3 WGK Germany 3 PubChem CID 90644511 Molecular Weight 282.39
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 Azepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Azepines Alternative Parents Aralkylamines Aminopyrimidines and derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Aminopyrimidine - Azepine - Aralkylamine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom. 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: 28.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 28.24, Max Conc. mM: 100 Molecular Weight 282.400 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 282.184 Da Monoisotopic Mass 282.184 Da Topological Polar Surface Area 49.800 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 316.000 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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