dequalinium - Moligand™ , Channel blocker of CNGA1;Channel blocker of CNGA2;Channel blocker of K Ca2.1;Channel blocker of K Ca2.2;Channel blocker of K Ca2.3, CAS No.6707-58-0, Channel blocker of CNGA1;Channel blocker of CNGA2;Channel blocker of K Ca2.1;Channel blocker of K Ca2.2;Channel blocker of K Ca2.3

CAS: 6707-58-0 Cat. No.: D609810 Fórmula: C₃₀H₄₀N₄+₂ Peso molecular: 456.7 PubChem CID: 2993

GRADE & PURITY Moligand™

Synonyms

dequalinium | 1-(10-(4-Amino-2-methyl-1lambda~5~-quinolin-1-yl)decyl)-2-methyl-1lambda~5~-quinolin-4-ylamine dichloride | KBioSS_000631 | 1-[10-(4-Amino-2-methyl-quinolin-1-yl)decyl]-2-methyl-quinolin-4-amine dichloride | 1-[10-(4-amino-2-methyl-quinolin-

Storage

Room temperature

Specifications

Sinónimos

dequalinium | 1-(10-(4-Amino-2-methyl-1lambda~5~-quinolin-1-yl)decyl)-2-methyl-1lambda~5~-quinolin-4-ylamine dichloride | KBioSS_000631 | 1-[10-(4-Amino-2-methyl-quinolin-1-yl)decyl]-2-methyl-quinolin-4-amine dichloride | 1-[10-(4-amino-2-methyl-quinolin-

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

CHANNEL BLOCKER

Mecanismo de ação

Channel blocker of CNGA1;Channel blocker of CNGA2;Channel blocker of K Ca2.1;Channel blocker of K Ca2.2;Channel blocker of K Ca2.3

Propriedades do produto

• ALogP: 7.3

Nomes e identificadores

• Sorrisos canónicos: Nc1cc(C)[n+](c2c1cccc2)CCCCCCCCCC[n+]1c(C)cc(c2c1cccc2)N
• IUPAC Name: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine
• InChIKey: PCSWXVJAIHCTMO-UHFFFAOYSA-P
• INCHI: 1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2
• SMILES isoméricas: CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C
• PubChem CID: 2993
• Peso molecular: 456.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Methylpyridines Aminopyridines and derivatives Pyridinium derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Aminopyridine - Methylpyridine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Amine - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• External Descriptors: quinolinium ion

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

Alvos associados (humanos)

CNGA1 Tchem cGMP-gated cation channel alpha-1 (1 Activities)

Discover Target: CNGA1

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

CNGA2 Tchem Cyclic nucleotide-gated olfactory channel (1 Activities)

Discover Target: CNGA2

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

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (1 Activities)

Discover Target: KCNN1

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

KCNN3 Tchem Small conductance calcium-activated potassium channel protein 3 (1 Activities)

Discover Target: KCNN3

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

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (0 Activities)

Discover Target: KCNN2

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

Propriedades químicas e físicas

• Peso molecular: 456.700 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 456.325 Da
• Monoisotopic Mass: 456.325 Da
• Topological Polar Surface Area: 59.800 Ų
• Heavy Atom Count: 34
• Formal Charge: 2
• Complexity: 532.000
• 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: 1

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6707-58-0, the molecular formula is C30H40N4+2, and the molecular weight is 456.7 g/mol. InChIKey PCSWXVJAIHCTMO-UHFFFAOYSA-P.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.