Alcaftadine - Moligand™, 10mM in DMSO , Histamine H1 receptor antagonist, CAS No.147084-10-4, Histamine H1 receptor antagonist

CAS: 147084-10-4 Cat. No.: A421713 Peso molecular: 307.4 Número EC: 899-976-6

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Alcaftadine|147084-10-4|Lastacaft|R89674|R-89674|alcaftadina|alcaftadinum|R 89674|UNII-7Z8O94ECSX|7Z8O94ECSX|CHEBI:71023|ALCAFTADINE (MART.)|ALCAFTADINE [MART.]|1794775-80-6|11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbal

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Alcaftadine | 147084-10-4 | Lastacaft | R89674 | R-89674 | alcaftadina | alcaftadinum | R 89674 | UNII-7Z8O94ECSX | 7Z8O94ECSX | CHEBI:71023 | ALCAFTADINE (MART.) | ALCAFTADINE [MART.] | 1794775-80-6 | 11-(1-methylpiperidin-4-ylidene)-5, 6-dihydroimidazo[2, 1-b][3]benzazepine-3-carbal

Especificaciones y pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Alcaftadine (R89674) is a histamine H1 receptor antagonist, which is used to prevent eye irritation brought on by allergic conjunctivitis. Alcaftadine is a broad-spectrum antihistamine displaying a high affinity for histamine H1 and H2 receptors and a low

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Histamine H1 receptor antagonist

Propiedades del producto

• ALogP: 1.7

Nombres e identificadores

• Sonrisas canónicas: CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C=O)CC1
• IUPAC Name: 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde
• InChIKey: MWTBKTRZPHJQLH-UHFFFAOYSA-N
• INCHI: 1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3
• Isómeros SMILES: CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C=O)CC1
• Peso molecular: 307.4
• Reaxy-Rn: 13759211
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13759211&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Carbonylimidazoles Azepines Aryl-aldehydes Piperidines N-substituted imidazoles Benzenoids Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Azepine - Imidazole-4-carbonyl group - Aryl-aldehyde - N-substituted imidazole - Piperidine - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
• External Descriptors: piperidines - tertiary amino compound - aldehyde - imidazobenzazepine

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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Heat Sensitive
• Punto de fusión (°C): 167 °C
• Peso molecular: 307.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 307.168 Da
• Monoisotopic Mass: 307.168 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 479.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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