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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 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 同義語
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 |
生化学的・生理学的メカニズム
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
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
名前と識別子 カノニカル・スマイル 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 異性体SMILES C[C@H]1CNCCC2=C1N=C(N=C2NC)CC3=CC=CC=C3 WGKドイツ 3 PubChem CID 90644511 分子量 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 分類 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 説明 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.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 溶解度 Solvent:DMSO, Max Conc. mg/mL: 28.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 28.24, Max Conc. mM: 100 分子量 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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