FUB 349 - Moligand™ , Antagonist of H 3 receptor, CAS No.184023-52-7, Antagonist of H 3 receptor

CAS: 184023-52-7 Cat. No.: F610417 PubChem CID: 9990388

GRADE & PURITY Moligand™

Synonyms

FUB349 | FUB-349 | 5-(4-phenylbutyl)-1H-imidazole | A9UP25GJ6E | 4-(4-phenylbutyl)-3H-imidazole | 1H-Imidazole, 5-(4-phenylbutyl)- | 4-(4-Phenyl-butyl)-1H-imidazole | AKOS040751872 | GTPL1259 | UNII-A9UP25GJ6E | Q27077755 | BDBM50071197 | FUB 349 | starbl

Storage

Room temperature

Specifications

Sinonimi

FUB349 | FUB-349 | 5-(4-phenylbutyl)-1H-imidazole | A9UP25GJ6E | 4-(4-phenylbutyl)-3H-imidazole | 1H-Imidazole, 5-(4-phenylbutyl)- | 4-(4-Phenyl-butyl)-1H-imidazole | AKOS040751872 | GTPL1259 | UNII-A9UP25GJ6E | Q27077755 | BDBM50071197 | FUB 349 | starbl

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of H 3 receptor

Nomi e identificatori

Sorrisi canonici

c1ccc(cc1)CCCCc1cnc[nH]1

IUPAC Name

4-(4-phenylbutyl)-3H-imidazole

InChIKey

BQTXNCXSCSNHGA-UHFFFAOYSA-N

INCHI

1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)

Isomeri SMILES

C1=CC=C(C=C1)CCCCC2=CN=CN2

PubChem CID

9990388

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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)

HRH3 Tclin Histamine H3 receptor (3 Activities)

Discover Target: HRH3

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 200.280 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 200.131 Da
• Monoisotopic Mass: 200.131 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 164.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1