azimilide - Moligand™ , Channel blocker of K v7.1, CAS No.149908-53-2, Channel blocker of K v7.1

CAS: 149908-53-2 Cat. No.: A607904 PubChem CID: 9571004

QUALITÄT & REINHEIT Moligand™

Synonyms

(E)-1-(((5-(4-Chlorophenyl)furan-2-yl)methylene)amino)-3-(4-(4-methylpiperazin-1-yl)butyl)imidazolidine-2,4-dione | 1294552-65-0 | 1-((5-(P-CHLOROPHENYL)FURFURYLIDENE)AMINO)-3-(4-(4-METHYL-1-PIPERAZINYL)BUTYL)HYDANTOIN | AZIMILIDE [WHO-DD] | 2,4-Imidazoli

Storage

Room temperature

Spezifikationen

Synonyme

(E)-1-(((5-(4-Chlorophenyl)furan-2-yl)methylene)amino)-3-(4-(4-methylpiperazin-1-yl)butyl)imidazolidine-2,4-dione | 1294552-65-0 | 1-((5-(P-CHLOROPHENYL)FURFURYLIDENE)AMINO)-3-(4-(4-METHYL-1-PIPERAZINYL)BUTYL)HYDANTOIN | AZIMILIDE [WHO-DD] | 2,4-Imidazoli

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

CHANNEL BLOCKER

Mechanismus der Wirkung

Channel blocker of K v7.1

Namen und Kennungen

Kanonisches Lächeln

CN1CCN(CC1)CCCCN1C(=O)CN(C1=O)/N=C/c1ccc(o1)c1ccc(cc1)Cl

IUPAC Name

1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione

InChIKey

MREBEPTUUMTTIA-PCLIKHOPSA-N

INCHI

1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+

Isomere SMILES

CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl

PubChem CID

9571004

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azolidines
      • Subclass Imidazolidines
        • Ebene5 Imidazolidinones
          • Ebene6 Imidazolidinediones
            • Ebene7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: Alpha amino acids and derivatives N-methylpiperazines Chlorobenzenes Semicarbazones Aryl chlorides Heteroaromatic compounds Furans Dicarboximides Trialkylamines Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Semicarbazone - Benzenoid - Heteroaromatic compound - Semicarbazide - Dicarboximide - Furan - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• External Descriptors: imidazolidine-2,4-dione

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

Zugehörige Ziele (menschlich)

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)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (7 Activities)

Discover Target: KCNH2

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 458.000 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 457.188 Da
• Monoisotopic Mass: 457.188 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 677.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1