Eslicarbazepine - Moligand™, ≥95% , Sodium channel alpha subunit blocker, CAS No.104746-04-5, Sodium channel alpha subunit blocker

CAS: 104746-04-5 Cat. No.: S337229 Fórmula: C₁₅H₁₄N₂O₂ Peso molecular: 254.28

GRADE & PURITY Moligand™, ≥95%

Synonyms

(10S)-10,11-Dihydro-10-hydroxy-5H-Dibenz[b,f]azepine-5-carboxamide | (S)-Licarbazepine | BIA 2-194 | EC 810-248-9 | S-10-Monohydroxy-dihydro-carbamazepin | Pazzul | Stedesa | Erelib

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Eslicarbazepine is an anticonvulsant indicated for the adjunctive treatment of partial seizures.

Specifications

Sinónimos

(10S)-10,11-Dihydro-10-hydroxy-5H-Dibenz[b,f]azepine-5-carboxamide | (S)-Licarbazepine | BIA 2-194 | EC 810-248-9 | S-10-Monohydroxy-dihydro-carbamazepin | Pazzul | Stedesa | Erelib

Especificaciones y pureza

Moligand™, ≥95%

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.

Grado

Moligand™

Tipo de acción

BLOCKER

Mecanismo de acción

Sodium channel alpha subunit blocker

Pureza

≥95%

Propiedades del producto

• ALogP: 1.4

Nombres e identificadores

• Pubchem Sid: 528775084
• Sonrisas canónicas: C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O
• IUPAC Name: (5S)-5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
• InChIKey: BMPDWHIDQYTSHX-AWEZNQCLSA-N
• INCHI: 1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1
• Isómeros SMILES: C1[C@@H](C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O
• Peso molecular: 254.28
• Reaxy-Rn: 1540211
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1540211&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Azepines Benzenoids Ureas Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Azepine - Benzenoid - Carbonic acid derivative - Secondary alcohol - Urea - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

Homo sapiens (32628 Activities)

Explore this target

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

Objetivos asociados (no humanos)

Scn8a Sodium channel protein type VIII alpha subunit (53 Activities)

Discover Target: Scn8a

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Dichloromethane, Methanol and Pyridine
• Punto de fusión (°C): 188-190°C (lit.)
• Peso molecular: 254.280 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 254.106 Da
• Monoisotopic Mass: 254.106 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 347.000
• 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

Referencias

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