N-ethylhistamine - Moligand™ , Agonist of H 4 receptor, CAS No.479408-49-6, Agonist of H 4 receptor

CAS: 479408-49-6 Cat. No.: N611083 PubChem CID: 44292270

GRADE & PURITY Moligand™

Synonyms

GTPL1271 | MFCD14583876 | N-ethylhistamine | 2-(1-ethylimidazol-4-yl)ethanamine | 2-(1-ethyl-1h-imidazol-4-yl)ethanamine | 2-(1-Ethyl-4-imidazolyl)ethanamine | SCHEMBL589342 | DTXSID90658170 | 2-(1-Ethyl-1H-imidazol-4-yl)ethan-1-amine | AKOS006337816 | 2-

Storage

Room temperature

Specifications

Synonyms

GTPL1271 | MFCD14583876 | N-ethylhistamine | 2-(1-ethylimidazol-4-yl)ethanamine | 2-(1-ethyl-1h-imidazol-4-yl)ethanamine | 2-(1-Ethyl-4-imidazolyl)ethanamine | SCHEMBL589342 | DTXSID90658170 | 2-(1-Ethyl-1H-imidazol-4-yl)ethan-1-amine | AKOS006337816 | 2-

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of H 4 receptor

Names and Identifiers

• Canonical Smiles: NCCc1ncn(c1)CC
• IUPAC Name: 2-(1-ethylimidazol-4-yl)ethanamine
• InChIKey: LIXGKSRWGHVUHT-UHFFFAOYSA-N
• INCHI: 1S/C7H13N3/c1-2-10-5-7(3-4-8)9-6-10/h5-6H,2-4,8H2,1H3
• Isomeric SMILES: CCN1C=C(N=C1)CCN
• PubChem CID: 44292270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 2-arylethylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: 2-arylethylamines
• Alternative Parents: Aralkylamines N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-arylethylamine - Aralkylamine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group.
• 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)

HRH4 Tchem Histamine H4 receptor (1 Activities)

Discover Target: HRH4

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 139.200 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 139.111 Da
• Monoisotopic Mass: 139.111 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 94.900
• 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