2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl]propanamide - Moligand™ , Inhibitor of CTP synthase 1;Inhibitor of CTP synthase 2, CAS No.C609026, Inhibitor of CTP synthase 1;Inhibitor of CTP synthase 2

CAS: C609026 Cat. No.: C609026 PubChem CID: 138674003

GRADE & PURITY Moligand™

Synonyms

inhibitor T35 | compound 27

Storage

Room temperature

Specifications

Synonyms

inhibitor T35 | compound 27

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of CTP synthase 1;Inhibitor of CTP synthase 2

Names and Identifiers

• Canonical Smiles: CC(C)(C(=O)Nc1ccc(cn1)c1cncc(n1)C(F)(F)F)c1csc(n1)NS(=O)(=O)C1CC1
• IUPAC Name: 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl]propanamide
• InChIKey: CZIDGRDZSFIUHX-UHFFFAOYSA-N
• INCHI: 1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(H,27,29)(H,25,28,30)
• PubChem CID: 138674003

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: Methylpyridines 2-halopyridines 2,4-disubstituted thiazoles Pyrazines Imidolactams Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylamide - 2-halopyridine - Methylpyridine - 2,4-disubstituted 1,3-thiazole - Imidolactam - Pyridine - Pyrazine - Heteroaromatic compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
• 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)

CTPS1 Tbio CTP synthase 1 (0 Activities)

Discover Target: CTPS1

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

CTPS2 Tbio CTP synthase 2 (0 Activities)

Discover Target: CTPS2

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