SM 7368 - ≥99% , CAS No.380623-76-7

CAS: 380623-76-7 Cat. No.: S276246 Molecular Weight: 328.69 EC Number: 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

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC(=C(C=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl)[N+](=O)[O-]
• PubChem CID: 11537217
• Molecular Weight: 328.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class 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
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM
• Molecular Weight: 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