Abanoquil , CAS No.90402-40-7

CAS: 90402-40-7 Cat. No.: A668104 Fórmula: C22H25N3O4 Peso molecular: 395.5 PubChem CID: 164089
Disponible para pedir
Synonyms
Abanoquil|2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-6,7-dimethoxyquinolin-4-amine|UK 52046|Abanoquil [INN:BAN]|4-Amino-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl)-6,7-dimethoxyquinoline|ABANOQUIL [INN]|2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine|2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl) -6,7-dimethoxyquinolin-4-ylamine|2-(6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-6,7-DIMETHOXY-QUINOLIN-4-AMINE|2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinolin-4-ylamine|4-Amin-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl)-6,7-dimethoxyquinoline
Storage
Room temperature
★
Talla
Alemania (EU)
USA*
Precio
Cantidad
1mg
A668104-1mg
Fabricado bajo pedido · 8–12 semanas

496,26€

744,43€
Guardar 248,17 € (33.34%)
5mg
A668104-5mg
Fabricado bajo pedido · 8–12 semanas

1.735,39€

2.603,13€
Guardar 867,74 € (33.33%)
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Especificaciones

Sinónimos
Abanoquil | 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-6,7-dimethoxyquinolin-4-amine | UK 52046 | Abanoquil [INN:BAN] | 4-Amino-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl)-6,7-dimethoxyquinoline | ABANOQUIL [INN] | 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine | 2-(6,7-dimethoxy-3,4-dihydro-1H- Show more
Condiciones de almacenamiento de almacenamiento
Room temperature
Tipo de acción
ANTAGONIST
Propiedades del producto
ALogP
3.4
Nombres e identificadores
Sonrisas canónicas
COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC
IUPAC Name
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine
InChIKey
ANZIISNSHPKVRV-UHFFFAOYSA-N
INCHI
1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
Isómeros SMILES
COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC
PubChem CID
164089
Peso molecular
395.5

Datos avanzados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzylamines
Intermediate Tree Nodes Not available
Direct Parent2-benzylaminopyridines
Alternative Parents 4-aminoquinolines  Tetrahydroisoquinolines  Dialkylarylamines  Anisoles  Aminopyridines and derivatives  Alkyl aryl ethers  Imidolactams  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-benzylaminopyridine - Aminoquinoline - 4-aminoquinoline - Quinoline - Tetrahydroisoquinoline - Anisole - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ADRA1B Tclin Alpha-1B adrenergic receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRA1D Tclin Alpha-1D adrenergic receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRA1A Tclin Alpha-1A adrenergic receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1B Tclin Alpha-1b adrenergic receptor (2912 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
Peso molecular395.500 g/mol
XLogP33.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass395.185 Da
Monoisotopic Mass395.185 Da
Topological Polar Surface Area79.100 Ų
Heavy Atom Count29
Formal Charge0
Complexity538.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
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