QX 222 - ≥98% , CAS No.5369-00-6

CAS: 5369-00-6 Cat. No.: Q286951 Fórmula: C₁₃H₂₁ClN₂O Peso molecular: 256.77 PubChem CID: 9795082

GRADE & PURITY ≥98%

Synonyms

SR-01000075956 | NSC27031 | QX-222 (chloride) | 2-((2,6-Dimethylphenyl)amino)-N,N,N-trimethyl-2-oxoethan-1-aminiumchloride | SCHEMBL7704273 | 2-[(2,6-Dimethylphenyl)amino]-N,N,N-trimethyl-2-oxoethaniminium chloride | [2-(2,6-dimethylanilino)-2-oxoethyl]-t

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

SR-01000075956 | NSC27031 | QX-222 (chloride) | 2-((2,6-Dimethylphenyl)amino)-N,N,N-trimethyl-2-oxoethan-1-aminiumchloride | SCHEMBL7704273 | 2-[(2,6-Dimethylphenyl)amino]-N,N,N-trimethyl-2-oxoethaniminium chloride | [2-(2,6-dimethylanilino)-2-oxoethyl]-t

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Sodium channel blocker.

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504764856

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764856

Sorrisos canónicos

CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C.[Cl-]

IUPAC Name

[2-(2,6-dimethylanilino)-2-oxoethyl]-trimethylazanium;chloride

InChIKey

WFKXSWWTOZBDME-UHFFFAOYSA-N

INCHI

1S/C13H20N2O.ClH/c1-10-7-6-8-11(2)13(10)14-12(16)9-15(3,4)5;/h6-8H,9H2,1-5H3;1H

SMILES isoméricas

CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C.[Cl-]

PubChem CID

9795082

Peso molecular

256.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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: Anilides m-Xylenes N-arylamides Tetraalkylammonium salts Secondary carboxylic acid amides Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - M-xylene - Xylene - N-arylamide - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxamide group - Secondary carboxylic acid amide - Organic nitrogen compound - Amine - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (humanos)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble to 100 mM in water
• Peso molecular: 256.769 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 256.134 Da
• Monoisotopic Mass: 256.134 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 235.000
• 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

Perguntas frequentes

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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

The CAS Number is 5369-00-6, the molecular formula is C??H??ClN?O, and the molecular weight is 256.77 g/mol. InChIKey WFKXSWWTOZBDME-UHFFFAOYSA-N.

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.