F3 - Moligand™ , Gating inhibitor of K ir3.2, CAS No.661-71-2, Gating inhibitor of K ir3.2

CAS: 661-71-2 Cat. No.: F610273 Formula: C₄H₄ClF₃ Peso molecolare: 144.52 Numero EC: 680-697-1 PubChem CID: 79091

GRADE & PURITY Moligand™

Synonyms

1-Chloro-1,2,2-trifluorocyclobutane|661-71-2|Cyclobutane, 1-chloro-1,2,2-trifluoro-|1-Ctfcb|GTPL2400|SCHEMBL3123282|DTXSID40984597|ZZQYDYODFHABLC-UHFFFAOYSA-N|MFCD00042139|AKOS006230600|FT-0607576|Q27077273

Storage

Room temperature

Specifications

Sinonimi

1-Chloro-1,2,2-trifluorocyclobutane | 661-71-2 | Cyclobutane, 1-chloro-1,2,2-trifluoro- | 1-Ctfcb | GTPL2400 | SCHEMBL3123282 | DTXSID40984597 | ZZQYDYODFHABLC-UHFFFAOYSA-N | MFCD00042139 | AKOS006230600 | FT-0607576 | Q27077273

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

GATING INHIBITOR

Meccanismo d'azione

Gating inhibitor of K ir3.2

Nomi e identificatori

• Sorrisi canonici: C1CC(C1(F)F)(F)Cl
• IUPAC Name: 1-Chloro-1,2,2-trifluorocyclobutane
• InChIKey: ZZQYDYODFHABLC-UHFFFAOYSA-N
• INCHI: 1S/C4H4ClF3/c5-3(6)1-2-4(3,7)8/h1-2H2
• Isomeri SMILES: C1CC(C1(F)F)(F)Cl
• PubChem CID: 79091
• Peso molecolare: 144.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Organochloride - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• 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

Obiettivi associati (umani)

KCNJ6 Tchem G protein-activated inward rectifier potassium channel 2 (0 Activities)

Discover Target: KCNJ6

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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 81°
• Peso molecolare: 144.520 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 143.995 Da
• Monoisotopic Mass: 143.995 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 114.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1