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Clofilium tosylate , CAS No.92953-10-1

CAS: 92953-10-1 Cat. No.: C335117 Molecular Weight: 510.17 EC Number: 635-646-8 PubChem CID: 175533
COA
Clofilium tosylate - CAS No(92953-10-1) by Aladdin Scientific
AVAILABLE TO ORDER
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
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
25mg
C335117-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$223.90
100mg
C335117-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$714.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Solution Calculators Reviews
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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

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
Room temperature
Shipped In
Normal
Product Properties
Ki DataHERG: Ki= 0.4 nM (human)
Names and Identifiers
Canonical SmilesCCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]
IUPAC Name4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonate
InChIKeyMOQZYUUHIWPDQC-UHFFFAOYSA-M
INCHI1S/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
Isomeric SMILES CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]
WGK Germany 3
RTECS CY9040870
PubChem CID 175533
Molecular Weight 510.17

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylbutylamines
Intermediate Tree Nodes Not available
Direct ParentPhenylbutylamines
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 FrameworkNot 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLI1 Tchem Zinc finger protein GLI1 (201 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
INS1 (2867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wnt3a Protein Wnt-3a (429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySoluble in water, methanol, and DMSO.
Melt Point(°C)98-99° C
Molecular Weight510.200 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass509.273 Da
Monoisotopic Mass509.273 Da
Topological Polar Surface Area65.600 Ų
Heavy Atom Count34
Formal Charge0
Complexity460.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Documents & Articles
Applications of Voltage-Gated Potassium Channel Modulators in Studies of Neuronal and Smooth Muscle Function
Categories: Technical articles
Tags:
voltage-gated potassium channels Kv channels modulators neuronal excitability smooth muscle membrane potential electrophysiology KCNQ pharmacology
Solution Calculators
Reviews

Customer Reviews

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