Ethacizine hydrochloride - ≥98% , CAS No.57530-40-2

CAS: 57530-40-2 Cat. No.: E649717 Fórmula: C₂₂H₂₈ClN₃O₃S Peso molecular: 449.99 PubChem CID: 3044577

GRADE & PURITY ≥98%

Synonyms

Carbamic acid, (10-(3-(diethylamino)-1-oxopropyl)-10H-phenothiazin-2-yl)-, ethyl ester, hydrochloride | ethyl (10-(3-(diethylamino)propanoyl)-10H-phenothiazin-2-yl)carbamate hydrochloride | UNII-260059T81O | Ethacizine hydrochloride | HY-135121 | Ethacizi

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Ethacizine hydrochloride (Ethacizin; NIK-244) is a longer-lasting Class Ic antiarrhythmic agent than Flecainide. Ethacizine hydrochloride (Ethacizin; NIK-244) inhibits the depolarizing current responsible for the intraatrial and His-Purkinje-ventricular conduction .

In Vivo

NIK-244 (1-300 ug) injects directly into the SA node and PM preparations shows negative chronotropic, negative inotropic and coronary vasodilator . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

Carbamic acid, (10-(3-(diethylamino)-1-oxopropyl)-10H-phenothiazin-2-yl)-, ethyl ester, hydrochloride | ethyl (10-(3-(diethylamino)propanoyl)-10H-phenothiazin-2-yl)carbamate hydrochloride | UNII-260059T81O | Ethacizine hydrochloride | HY-135121 | Ethacizi

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Ethacizine hydrochloride (Ethacizin; NIK-244) is a longer-lasting Class Ic antiarrhythmic agent thanxa0Flecainide. Ethacizine hydrochloride (Ethacizin; NIK-244) inhibits the depolarizing current responsible for the intraatrial and His-Purkinje-ventri

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Desiccated

Enviado en

Wet ice

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

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC.Cl
• IUPAC Name: ethyl N-[10-[3-(diethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride
• InChIKey: VHNXQKLWIQHSOY-UHFFFAOYSA-N
• INCHI: 1S/C22H27N3O3S.ClH/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3;/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27);1H
• Isómeros SMILES: CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC.Cl
• CAS alternativo: 57530-40-2
• PubChem CID: 3044577
• Peso molecular: 449.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Diarylthioethers Beta amino acids and derivatives Benzenoids 1,4-thiazines Tertiary carboxylic acid amides Carbamate esters Trialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Beta amino acid or derivatives - Diarylthioether - Aryl thioether - Para-thiazine - Benzenoid - Tertiary carboxylic acid amide - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Thioether - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (222.23 mM; Need ultrasonic)
• Peso molecular: 450.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 449.154 Da
• Monoisotopic Mass: 449.154 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 557.000
• 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: 2

XLogP3