TAS1553 - Moligand™ , Inhibitor of ribonucleotide reductase catalytic subunit M1, CAS No.T614336, Inhibitor of ribonucleotide reductase catalytic subunit M1

CAS: T614336 Cat. No.: T614336 PubChem CID: 132203319

GRADE & PURITY Moligand™

Synonyms

TAS-1553

Storage

Room temperature

Specifications

Synonyms

TAS-1553

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of ribonucleotide reductase catalytic subunit M1

Names and Identifiers

• Canonical Smiles: C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)N)c1n[nH]c(=O)o1)c1c(C)c(C)ccc1F
• IUPAC Name: 5-chloro-2-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide
• InChIKey: DUYRWEBTZNUILI-DIFFPNOSSA-N
• INCHI: 1S/C20H20ClFN4O5S/c1-9-4-6-14(22)16(10(9)2)11(3)17(19-24-25-20(28)31-19)26-32(29,30)15-7-5-12(21)8-13(15)18(23)27/h4-8,11,17,26H,1-3H3,(H2,23,27)(H,25,28)/t11-,17+/m1/s1
• PubChem CID: 132203319

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzenesulfonyl compounds Benzamides o-Xylenes Benzoyl derivatives Fluorobenzenes Chlorobenzenes Organosulfonamides Aryl fluorides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds 1,3,4-oxadiazoles Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzamide - O-xylene - Xylene - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Organosulfonic acid amide - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxadiazole - Azole - 1,3,4-oxadiazole - Primary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a 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

Associated Targets(Human)

RRM1 Tclin Ribonucleoside-diphosphate reductase large subunit (0 Activities)

Discover Target: RRM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)