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· · COA & SDS für jedes Produkt verfügbar · Versand am selben Tag auf Lager 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 |
Storage
Lagerung bei -20°C
Shipped In
Eistruhe + Eispads
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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 Lagerung bei -20°C Ships Eistruhe + Eispads 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 Synonyme
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 |
Spezifikationen & Reinheit
≥98%(HPLC)
Biochemische und physiologische Mechanismen
Wirksamer und selektiver 5-HT2C-Antagonist (EC50= 10 nM). Zeigt eine > 100-fache Selektivität gegenüber einer Gruppe von 90 Rezeptoren, Enzymen und Ionenkanälen, mit Ausnahme von 5-HT2A (IC50= 360 nM Antagonist), 5-HT2B (EC50= 67 nM Antagonist), 5-HT1A un
Storage
Lagerung bei -20°C
Verschickt in
Eistruhe + Eispads
Namen und Kennungen Kanonisches Lächeln 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 Isomere SMILES C[C@H]1CNCCC2=C1N=C(N=C2NC)CC3=CC=CC=C3 WGK Deutschland 3 PubChem CID 90644511 Molekulargewicht 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 Klasse 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 Beschreibung 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-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Löslichkeit Solvent:DMSO, Max Conc. mg/mL: 28.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 28.24, Max Conc. mM: 100 Molekulargewicht 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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