Articaine HCl - ≥99% , Sodium channel alpha subunit blocker, CAS No.23964-57-0, Sodium channel alpha subunit blocker

CAS: 23964-57-0 Cat. No.: A129389 Peso molecular: 320.84 Número EC: 245-957-7

GRADE & PURITY ≥99%

Synonyms

4-Methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-2-thiophenecarboxylic acid methyl ester hydrochloride | Carticaine chlorhydrate

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Articaine is a dental local anesthetic which contains an additional ester group that is metabolized by estearases in blood and tissue
A potentially useful biochemical

Specifications

Sinónimos

4-Methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-2-thiophenecarboxylic acid methyl ester hydrochloride | Carticaine chlorhydrate

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Articaine is a dental local anesthetic. It is the most widely used local anesthetic in a number of European countries and is available in many countries around the world. The amide structure of articaine is similar to that of other local anesthetics, but

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

BLOCKER

Mecanismo de acción

Sodium channel alpha subunit blocker

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC.Cl
• IUPAC Name: methyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate;hydrochloride
• InChIKey: GDWDBGSWGNEMGJ-UHFFFAOYSA-N
• INCHI: 1S/C13H20N2O3S.ClH/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4;/h7,9,14H,5-6H2,1-4H3,(H,15,16);1H
• Isómeros SMILES: CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC.Cl
• WGK Alemania: 3
• Peso molecular: 320.84
• Reaxy-Rn: 8023262
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8023262&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Alanine and derivatives Thiophene carboxylic acids and derivatives N-arylamides Vinylogous amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Alanine or derivatives - Thiophene carboxylic acid or derivatives - N-arylamide - Thiophene - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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)

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

vpr Aberrant vpr protein (14595 Activities)

Discover Target: vpr

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 64 mg/mL Water 64 mg/mL Ethanol 64 mg/mL
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 173–180oC
• Peso molecular: 320.840 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 320.096 Da
• Monoisotopic Mass: 320.096 Da
• Topological Polar Surface Area: 95.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 325.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Xiaokang Guan, Qiao Lu, Xiangxu Zhao, Xiaowen Yan, Renato Zenobi.  (2023)  Spatio-Temporal Analysis of Anesthetics in Mice by Solid-Phase Microextraction: Dielectric Barrier Discharge Ionization Mass Spectrometry.  ANALYTICAL CHEMISTRY,      [PMID:37560898] [10.1021/acs.analchem.3c02123]