Quinidine Sulfate - ≥98% , Sodium channel alpha subunit blocker, CAS No.6591-63-5, Sodium channel alpha subunit blocker

CAS: 6591-63-5 Cat. No.: Q109529 Fórmula: C₄₀H₄₈N₄O₄.H₂SO₄.2H₂O Peso molecular: 782.94 Beilstein Registry Number: 23(2)415 Número EC: 678-472-8 PubChem CID: 656862

CALIDAD & PUREZA ≥98%

Synonyms

QUINIDINE SULFATE (2:1) (SALT), DIHYDRATE [WHO-IP] | QUINIDINI SULFAS [WHO-IP LATIN] | Quinidine sulfate hydrate | Quinidine, sulfate (2:1) (salt) | quinidine sulphate dihydrate | Quinicardine | QUINIDINE SULFATE [WHO-IP] | QUINIDINE SULFATE [MART.] | J-2

Storage

Protected from light,Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

QUINIDINE SULFATE (2:1) (SALT), DIHYDRATE [WHO-IP] | QUINIDINI SULFAS [WHO-IP LATIN] | Quinidine sulfate hydrate | Quinidine, sulfate (2:1) (salt) | quinidine sulphate dihydrate | Quinicardine | QUINIDINE SULFATE [WHO-IP] | QUINIDINE SULFATE [MART.] | J-2

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Quinidine sulfate dihydrate is an antiarrhythmic agent and an effective K + channel blocker with an IC50 value of 19.9 μm. Quinidine sulfate dihydrate is an effective and selective cytochrome P450DB (cytochrome P450DB) inhibitor, which can also be used in

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Tipo de acción

BLOCKER

Mecanismo de acción

Sodium channel alpha subunit blocker

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488191000

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191000

Sonrisas canónicas

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O

IUPAC Name

(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate

InChIKey

ZHNFLHYOFXQIOW-AHSOWCEXSA-N

INCHI

1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1

Isómeros SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.OS(=O)(=O)O

WGK Alemania

3

RTECS

VA5605000

PubChem CID

656862

Peso molecular

782.94

Beilstein

23(2)415

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Cinchona alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Cinchona alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinchona alkaloids
• Alternative Parents: 4-quinolinemethanols Quinuclidines Anisoles Alkyl aryl ethers Aralkylamines Pyridines and derivatives Piperidines Organic sulfuric acids Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Cinchonan-skeleton - 4-quinolinemethanol - Quinoline - Anisole - Quinuclidine - Alkyl aryl ether - Sulfuric acid - Aralkylamine - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Aromatic alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.
• 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)

CYP2D6 Tclin Cytochrome P450 2D6 (2 Activities)

Discover Target: CYP2D6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

INPP5D Tbio Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 1 (17 Activities)

Discover Target: INPP5D

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

Objetivos asociados (no humanos)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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Plasmodium falciparum (966862 Activities)

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Cavia porcellus (23802 Activities)

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Rattus norvegicus (775804 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform, water (11 mg/ml at 20°C), alcohol, and ethanol (50 mg/ml).
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 212-214°C
• Peso molecular: 782.900 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 782.356 Da
• Monoisotopic Mass: 782.356 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 538.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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: 5

XLogP3