SM 7368 - ≥99% , CAS No.380623-76-7

CAS: 380623-76-7 Cat. No.: S276246 Summenformel: C₁₀H₅ClN₄O₅S Molekulargewicht: 328.69 EG-Nummer: 803-992-0 PubChem CID: 11537217

QUALITÄT & REINHEIT ≥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

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

SM-7368 is a potent NF-kB inhibitor that targets downstream of MAPK p38 activation. SM-7368 inhibits TNF-α-induced MMP-9 upregulation. SM-7368 can be used for the research of chemotherapies targeting TNF-α-mediated tumor invasion and metastasis

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Selective NF-κB inhibitor. Inhibits TNF-α induced MMP-9 expression. Decreases MMP-9 expression in AMPKα knockout cells. Putative antimetastatic agent.

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

528767143

Kanonisches Lächeln

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)

Isomere SMILES

C1=CC(=C(C=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl)[N+](=O)[O-]

PubChem CID

11537217

Molekulargewicht

328.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Halobenzoic acids and derivatives
          • Ebene6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO to 100 mM
• Molekulargewicht: 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