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PF 04479745 - ≥98%(HPLC) , CAS No.1065110-43-1

CAS: 1065110-43-1 Cat. No.: P287787 Peso molecular: 282.39 PubChem CID: 90644511
COA
PF 04479745 - ≥98%(HPLC) CAS No(1065110-43-1) by Aladdin Scientific
Disponible para pedir
GRADE & PURITY ≥98%(HPLC)
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
Store at -20°C
Shipped In
Ice chest + Ice pads
★
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
P287787-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
216,90US$
Enter a quantity for the sizes you want to add.
Bulk / Custom
♡ Lista de deseos ⇅ Añadir para comparar ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas
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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.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
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 |
Especificaciones y pureza
≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
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
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
AGONIST
Pureza
≥98%(HPLC)
Nombres e identificadores
Sonrisas canónicasCC1CNCCC2=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
InChIKeyIHHALLDEDARSAL-LBPRGKRZSA-N
INCHI1S/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
Isómeros SMILES C[C@H]1CNCCC2=C1N=C(N=C2NC)CC3=CC=CC=C3
WGK Alemania 3
PubChem CID 90644511
Peso molecular 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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzepines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAzepines
Alternative Parents Aralkylamines  Aminopyrimidines and derivatives  Imidolactams  Benzene and substituted derivatives  Heteroaromatic compounds  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HTR2C Tclin 5-hydroxytryptamine receptor 2C (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR2B Tclin 5-hydroxytryptamine receptor 2B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR6 Tchem Serotonin 6 (5-HT6) receptor (9749 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A 5-hydroxytryptamine receptor 2A (30 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 28.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 28.24, Max Conc. mM: 100
Peso molecular282.400 g/mol
XLogP32.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass282.184 Da
Monoisotopic Mass282.184 Da
Topological Polar Surface Area49.800 Ų
Heavy Atom Count21
Formal Charge0
Complexity316.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

Reseñas de cliente

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