TG53 , CAS No.946369-04-6

CAS: 946369-04-6 Cat. No.: T1428283 PubChem CID: 27478270

Storage

Store at -20°C

Shipped In

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Overview

TG53 is a potent inhibitor of tissue transglutaminase ( TG2 ) and fibronectin ( FN ) protein-protein interaction. TG53 inhibits formation of a complex with integrin β1 and activation of FAK and c-Src during SKOV3 cell attachment onto FN. TG53 can be used for ovarian cancer research.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC)N(C)C
• IUPAC Name: 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-methoxybenzamide
• InChIKey: JHHHSGYKBKIUBG-UHFFFAOYSA-N
• INCHI: 1S/C21H22ClN5O2/c1-13-11-19(27(2)3)26-21(23-13)25-16-8-6-15(7-9-16)24-20(28)17-12-14(22)5-10-18(17)29-4/h5-12H,1-4H3,(H,24,28)(H,23,25,26)
• Isomeric SMILES: CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC)N(C)C
• PubChem CID: 27478270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Imidolactams Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Imidolactam - Aryl halide - Pyrimidine - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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