Eslicarbazepine Acetate - ≥98% , Sodium channel alpha subunit blocker, CAS No.236395-14-5, Sodium channel alpha subunit blocker

CAS: 236395-14-5 Cat. No.: E133192 Molecular Weight: 296.32 EC Number: 636-617-2

GRADE & PURITY ≥98%

Synonyms

5'-Chloro-alpha(sup 4)-(p-chlorophenyl)-alpha(sup 4)-cyano-3,5-diiodo-2',4'-salicyloxylidide | EN300-18665321 | (S)-(-)-10-Acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide | HMS3263M06 | methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate | QIALRBL

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Eslicarbazepine acetate(ESL) has Anticonvulsant effects on the development of latrunculin A-induced seizures and paroxysmal EEG activity. ESL may also exhibit disease-modifying effects beyond suppressing just seizure activity, possibly by altering the development of a hyperexcitable network, as evidenced by the suppressed changes in glycine, taurine, glutamate and aspartate concentrations associated with an antiepileptogenic effect

Specifications

Synonyms

5'-Chloro-alpha(sup 4)-(p-chlorophenyl)-alpha(sup 4)-cyano-3, 5-diiodo-2', 4'-salicyloxylidide | EN300-18665321 | (S)-(-)-10-Acetoxy-10, 11-dihydro-5H-dibenz[b, f]azepine-5-carboxamide | HMS3263M06 | methyl N-(2, 6-dimethylphenyl)-N-2-furoylalaninate | QIALRBL

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Blocker of voltage-gated sodium channels; significantly blocks excitatory amino acid (glutamate and aspartate) release.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

BLOCKER

Mechanism of action

Sodium channel alpha subunit blocker

Purity

≥98%

Product Properties

• ALogP: 2

Names and Identifiers

• Pubchem Sid: 504757702
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757702
• Canonical Smiles: CC(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N
• IUPAC Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate
• InChIKey: QIALRBLEEWJACW-INIZCTEOSA-N
• INCHI: 1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1
• Isomeric SMILES: CC(=O)O[C@H]1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N
• WGK Germany: 3
• Molecular Weight: 296.32
• Reaxy-Rn: 8333698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8333698&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Azepines Benzenoids Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Azepine - Benzenoid - Carboxylic acid ester - Urea - Carbonic acid derivative - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: 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: acetate ester - carboxamide - dibenzoazepine

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

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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P2RX4 Tchem P2X purinoceptor 4 (516 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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HEK293 (82097 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

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

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Scn2a Sodium channel alpha subunits; brain (Types I, II, III) (344 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Specific Rotation[α]: -22° (C=1,Pyridine)
• Melt Point(°C): 187 °C
• Molecular Weight: 296.320 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 296.116 Da
• Monoisotopic Mass: 296.116 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 440.000
• 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