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

GRAU & PUREZA 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

Visão geral

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

Especificações

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

Especificações e pureza

Moligand™, ≥95%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

BLOCKER

Mecanismo de ação

Sodium channel alpha subunit blocker

Pureza

≥95%

Propriedades do produto

ALogP

1.4

Nomes e identificadores

Pubchem Sid

528775084

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

Homo sapiens (32628 Activities)

Explore this target

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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Dichloromethane, Methanol and Pyridine
• Ponto de fusão (°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