IKs124 - Moligand™ , Channel blocker of K v7.1, CAS No.I610973, Channel blocker of K v7.1

CAS: I610973 Cat. No.: I610973 PubChem CID: 15338746

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

CHANNEL BLOCKER

Mechanism of action

Channel blocker of K v7.1

Names and Identifiers

• Canonical Smiles: CCCCN(S(=O)(=O)CC)C1CC(C)(C)Oc2c1cc(C#N)cc2
• IUPAC Name: N-butyl-N-(6-cyano-2,2-dimethylchroman-4-yl)ethanesulfonamide
• InChIKey: VTICUGOJGKDYJD-UHFFFAOYSA-N
• INCHI: 1S/C18H26N2O3S/c1-5-7-10-20(24(21,22)6-2)16-12-18(3,4)23-17-9-8-14(13-19)11-15(16)17/h8-9,11,16H,5-7,10,12H2,1-4H3
• Isomeric SMILES: CCCCN(C1CC(OC2=C1C=C(C=C2)C#N)(C)C)S(=O)(=O)CC
• PubChem CID: 15338746

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,2-dimethyl-1-benzopyrans
• Alternative Parents: Alkyl aryl ethers Organosulfonamides Organic sulfonamides Benzenoids Aminosulfonyl compounds Oxacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,2-dimethyl-1-benzopyran - Alkyl aryl ether - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ether - Carbonitrile - Nitrile - Oxacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-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)

KCNQ1 Tclin Potassium voltage-gated channel subfamily KQT member 1 (1 Activities)

Discover Target: KCNQ1

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