SM 7368 - ≥99% , CAS No.380623-76-7

CAS: 380623-76-7 Cat. No.: S276246 Fórmula: C₁₀H₅ClN₄O₅S Peso molecular: 328.69 Número EC: 803-992-0 PubChem CID: 11537217

GRADE & PURITY ≥99%

Synonyms

NF-B Activation Inhibitor III | 3-Chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide | NF kappa B Activation Inhibitor III | MS-24931 | NF-(c)AB Activation Inhibitor III | SCHEMBL159312 | SM-7368, >=98% (HPLC) | 3-Chloro-4-nitro-N-(5-nitrothiazol-2-yl)b

Storage

Almacenar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Descripción general

SM-7368 es un potente inhibidor de NF-kB que actúa corriente abajo de la activación MAPK p38. SM-7368 inhibe la regulación al alza de MMP-9 inducida por TNF-α. SM-7368 puede utilizarse para la investigación de quimioterapias dirigidas a la invasión tumoral y la metástasis mediadas por TNF-α

Specifications

Sinónimos

NF-B Activation Inhibitor III | 3-Chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide | NF kappa B Activation Inhibitor III | MS-24931 | NF-(c)AB Activation Inhibitor III | SCHEMBL159312 | SM-7368, >=98% (HPLC) | 3-Chloro-4-nitro-N-(5-nitrothiazol-2-yl)b

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Inhibidor selectivo de NF-κB. Inhibe la expresión de MMP-9 inducida por TNF-α. Disminuye la expresión de MMP-9 en células knockout AMPKα. Posible agente antimetastásico.

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C,Desecado

Enviado en

Hielera + almohadillas de hielo

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 528767143
• Sonrisas canónicas: C1=CC(=C(C=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl)[N+](=O)[O-]
• IUPAC Name: 3-chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
• InChIKey: XCHLNGBTHLJLFG-UHFFFAOYSA-N
• INCHI: 1S/C10H5ClN4O5S/c11-6-3-5(1-2-7(6)14(17)18)9(16)13-10-12-4-8(21-10)15(19)20/h1-4H,(H,12,13,16)
• Isómeros SMILES: C1=CC(=C(C=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl)[N+](=O)[O-]
• PubChem CID: 11537217
• Peso molecular: 328.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Nitrothiazoles 2,5-disubstituted thiazoles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic salts Organic zwitterions
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Nitrothiazole - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - 2,5-disubstituted 1,3-thiazole - Aryl chloride - Aryl halide - Thiazole - Heteroaromatic compound - Azole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM
• Peso molecular: 328.690 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 327.967 Da
• Monoisotopic Mass: 327.967 Da
• Topological Polar Surface Area: 162.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 442.000
• 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