sulfonamide-01 - Moligand™ , Activator of CFTR, CAS No.S613752, Activator of CFTR

CAS: S613752 Cat. No.: S613752 PubChem CID: 11532283

GRADE & PURITY Moligand™

Synonyms

SF-01

Storage

Room temperature

Specifications

Synonyms

SF-01

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of CFTR

Names and Identifiers

• Canonical Smiles: C=CCNC(=O)c1c[nH]c2c(c1=O)cc(cc2)S(=O)(=O)N(c1ccccc1OCC)C
• IUPAC Name: 6-[(2-ethoxyphenyl)(methyl)sulfamoyl]-4-oxo-N-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
• InChIKey: IVIJZILSKWHMIO-UHFFFAOYSA-N
• INCHI: 1S/C22H23N3O5S/c1-4-12-23-22(27)17-14-24-18-11-10-15(13-16(18)21(17)26)31(28,29)25(3)19-8-6-7-9-20(19)30-5-2/h4,6-11,13-14H,1,5,12H2,2-3H3,(H,23,27)(H,24,26)
• Isomeric SMILES: CCOC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC=C
• PubChem CID: 11532283

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinoline carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinoline carboxamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline-3-carboxamides
• Alternative Parents: Hydroquinolones Sulfanilides Hydroquinolines Pyridinecarboxylic acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Organosulfonamides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxamide - Dihydroquinolone - Dihydroquinoline - Sulfanilide - Pyridine carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Benzenoid - Vinylogous amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoline-3-carboxamides. These are quinolines in which the quinoline ring system is substituted by one carboxamide group at the 3-position.
• 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)

CFTR Tclin Cystic fibrosis transmembrane conductance regulator (0 Activities)

Discover Target: CFTR

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