ML 335 - ≥98%(HPLC) , CAS No.825658-06-8

CAS: 825658-06-8 Cat. No.: M286735 Fórmula: C₁₅H₁₄Cl₂N₂O₃S Peso molecular: 373.25 Número CE: 840-229-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide | N-[(2,4-DICHLOROPHENYL)METHYL]-4-METHANESULFONAMIDOBENZAMIDE | Z57769326 | N-[(2,4-Dichlorophenyl)methyl]-4-[(Methylsulfonyl)amino]benzamide | BCP28963 | ML335 | Q6F | AKOS000377350 | EX-A45

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide | N-[(2,4-DICHLOROPHENYL)METHYL]-4-METHANESULFONAMIDOBENZAMIDE | Z57769326 | N-[(2,4-Dichlorophenyl)methyl]-4-[(Methylsulfonyl)amino]benzamide | BCP28963 | ML335 | Q6F | AKOS000377350 | EX-A45

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Selective K2P2.1 (TREK-1; KCNK2) and K2P10.1 (TREK-2; KCNK10) activator (EC50values of 14.3 μM and 5.2 μM, respectively); directly stimulates the C-type gate via the K2Pmodulator pocket. Does not activate K2P4.1 (TRAAK).

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504760432
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760432
• Sorrisos canónicos: CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl
• IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide
• InChIKey: RDFIQTZRJRVFHK-UHFFFAOYSA-N
• INCHI: 1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)
• SMILES isoméricas: CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl
• Peso molecular: 373.25
• Reaxy-Rn: 31493826
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31493826&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 N-benzylbenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: N-benzylbenzamides
• Alternative Parents: Sulfanilides Dichlorobenzenes Benzoyl derivatives Organosulfonamides Organic sulfonamides Aryl chlorides Aminosulfonyl compounds Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-benzylbenzamide - Sulfanilide - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
• 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

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 37.33, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.46, Max Conc. mM: 20
• Peso molecular: 373.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 372.01 Da
• Monoisotopic Mass: 372.01 Da
• Topological Polar Surface Area: 83.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 501.000
• 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 the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 825658-06-8, the molecular formula is C15H14Cl2N2O3S, and the molecular weight is 373.25 g/mol. InChIKey RDFIQTZRJRVFHK-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.