Clofilium tosylate - Moligand™, ≥97% , CAS No.92953-10-1

CAS: 92953-10-1 Cat. No.: C335117 Formula: C₂₈H₄₄ClNO₃S Peso molecolare: 510.17 Numero EC: 635-646-8

GRADE & PURITY Moligand™, ≥97%

Synonyms

AKOS024257841 | Carboxymethyl-1 methyl-2 p.chlorobenzoyl-3 indole | HMS3712P20 | N-(4-(4-Chlorophenyl)butyl)-N,N-diethylheptan-1-aminium 4-methylbenzenesulfonate | FT-0747981 | MFCD00069233 | SCHEMBL467251 | Tox21_110799_1 | CLOFILIUM TOSILATE | BENZENEBU

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Panoramica

Clofilium tosylate is a quaternary ammonium compound that acts as potassium channel blocker. Clofilium is a class III agent. Studies report that in a concentration dependent manner, Clofilium tosylate weakens the contraction induced by Galanin.

Specifications

Sinonimi

AKOS024257841 | Carboxymethyl-1 methyl-2 p.chlorobenzoyl-3 indole | HMS3712P20 | N-(4-(4-Chlorophenyl)butyl)-N,N-diethylheptan-1-aminium 4-methylbenzenesulfonate | FT-0747981 | MFCD00069233 | SCHEMBL467251 | Tox21_110799_1 | CLOFILIUM TOSILATE | BENZENEBU

Specifiche e purezza

Moligand™, ≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥97%

Proprietà del prodotto

Dati Ki

HERG: Ki= 0.4 nM (human)

Nomi e identificatori

Sorrisi canonici

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

IUPAC Name

4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonate

InChIKey

MOQZYUUHIWPDQC-UHFFFAOYSA-M

INCHI

1S/C21H37ClN.C7H8O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h14-17H,4-13,18-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

Isomeri SMILES

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

WGK Germania

3

RTECS

CY9040870

Peso molecolare

510.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Chlorobenzenes Aralkylamines Aryl chlorides Tetraalkylammonium salts Sulfonyls Organosulfonic acids Organopnictogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenylbutylamine - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Chlorobenzene - Toluene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Tetraalkylammonium salt - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Quaternary ammonium salt - Amine - Organic salt - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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

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CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Huh-7 (12904 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water, methanol, and DMSO.
• Sensibilità: Light sensitive;Moisture sensitive
• Punto di fusione (°C): 98-99° C
• Peso molecolare: 510.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 509.273 Da
• Monoisotopic Mass: 509.273 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 460.000
• 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