DICL_CP_0307290 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0307290

PubChem CID

774

Molecular Formula

C₅H₉N₃

Molecular Weight

111.148 g/mol

Synonyms/Alias

[histamine; 51-45-6; 2-(1H-imidazol-5-yl)ethanamine; 1H-Imidazole-4-ethanamine; Ergamine; Ergotidine; 2-(4-Imidazolyl)ethylamine; 5-Imidazoleethylamine; Eramin; Theramine; 2-(1H-Imidazol-4-yl)ethanami...[histamine; 51-45-6; 2-(1H-imidazol-5-yl)ethanamine; 1H-Imidazole-4-ethanamine; Ergamine; Ergotidine; 2-(4-Imidazolyl)ethylamine; 5-Imidazoleethylamine; Eramin; Theramine; 2-(1H-Imidazol-4-yl)ethanamine; Free histamine; 65592-96-3; beta-Aminoethylimidazole; 2-Imidazol-4-ylethylamine; Imidazole-4-ethylamine; 4-(2-Aminoethyl)-1H-imidazole; Histamine Base; 2-(1H-imidazol-4-yl)ethan-1-amine; beta-Aminoethylglyoxaline; 4-Imidazoleethylamine; Istamina; Histamine; Free Base; beta-Imidazolyl-4-ethylamine; Ethylamine; 2-imidazol-4-yl-; Imidazole; 4-(2-aminoethyl)-; 2-(3H-Imidazol-4-yl)-ethylamine; 1H-Imidazole-5-ethanamine; L-histamine; [3H]histamine; Ceplene; NSC 33792; CCRIS 6535; CHEBI:18295; HSDB 3338; beta-aminothethylglyoxaline; L-Histamin base; .beta.-Aminoethylglyoxaline; EINECS 200-100-6; NSC-33792; peremin; DTXSID4023125; UNII-820484N8I3; CHEMBL90; MFCD00005210; .beta.-Aminoethylimidazole; 2-(1H-imidazol-5-yl)ethan-1-amine; 4-(2-Aminoethyl)imidazole; MLS000069447; DTXCID103125; .beta.-Imidazolyl-4-ethylamine; 820484N8I3; 2-(1H-Imidazol-4-yl)ethylamine; NSC33792; Histamine [USAN]; Istamina [Italian]; NCGC00015513-04; SMR000059091; HISTAMINE (MART.); HISTAMINE [MART.]; [2-(1H-imidazol-5-yl)ethyl]amine dihydrochloride; 2-(3H-imidazol-4-yl)ethanamine; Histaminum; CAS-51-45-6; Histaminum (TN); Histamine (DCF); 2-imidazol-5-ylethylamine; 3h-histamine; imido-; Racemic histamine; 1avn; 1qft; ALEROFF; Spectrum_000845; HISTAMINE [MI]; HISTAMINE [HSDB]; Opera_ID_1772; Spectrum2_000665; Spectrum3_000452; Spectrum4_000960; Spectrum5_000796; HISTAMINE [VANDF]; Lopac-H-7250; b-Imidazolyl-4-ethylamine; bmse000744; Histamine; >=97.0%; HISTAMINE [WHO-DD]; SCHEMBL2279; 748 - Fish based sample; 2-(4-Imidazolyl)ethanamine; 2-imidazol-4-yl-Ethylamine; Lopac0_000595; WLN: T5M CNJ D2Z; BSPBio_001117; BSPBio_002124; KBioGR_000457; KBioGR_001580; KBioSS_000457; KBioSS_001325; DivK1c_000308; Histamine; analytical standard; SPBio_000729; (1H-imidazol-4-yl)ethylamine; BDBM7966; GTPL1204; GTPL1247; BCBcMAP01_000250; KBio1_000308; KBio2_000457; KBio2_001325; KBio2_003025; KBio2_003893; KBio2_005593; KBio2_006461; KBio3_000853; KBio3_000854; KBio3_001344; F411C768-A159-4FC0-A195-291A08BB03AA; 2-(1H-Imidazol-5-yl)ethylamine; 2-(3H-imidazol-4-yl)ethylamine; NINDS_000308; Bio1_000487; Bio1_000976; Bio1_001465; Bio2_000389; Bio2_000869; HMS1362G19; HMS1792G19; HMS1990G19; HMS3403G19; HMS3743G03; HMS3885M14; 2-(1H-Imidazol-4-yl)-ethylamine; AMY33457; HY-B1204; Tox21_110166; [2-(1H-imidazol-4-yl)ethyl]amine; 2-(1H-Imidazol-4-yl)ethanamine #; BBL004932; BDBM50121205; Histamine Dihydrochloride (Salt/Mix); MFCD00128939; s3968; STK346752; AKOS000274386; AKOS009158347; HISTAMINE FREE BASE CRYSTALLINE; Histamine; base; >=97.0% (NT); Tox21_110166_1; CCG-204684; CS-4697; DB05381; FS-5386; SDCCGMLS-0066601.P001; SDCCGSBI-0050577.P005; IDI1_000308; IDI1_002144; s10979; SMP1_000151; NCGC00015513-01; NCGC00015513-02; NCGC00015513-03; NCGC00015513-05; NCGC00015513-06; NCGC00015513-07; NCGC00015513-08; NCGC00015513-09; NCGC00015513-10; NCGC00015513-11; NCGC00015513-25; NCGC00093371-02; NCGC00093371-03; NCGC00093371-04; NCGC00093371-05; AC-13185; BP-11484; Histamine; Free Base - CAS 51-45-6; SY041787; SBI-0050577.P004; AM20100377; CS-0368357; NS00004684; 2-(1H-IMIDAZOL-4-YL)-1-ETHANAMINE; EN300-78991; Histamine; Vetec(TM) reagent grade; >=97%; C00388; D08040; F10913; Q61233; AB00053481_20; AB00053481_21; A828600; L000292; J-505349; Histamine; EuropePharmacopoeia (EP) Reference Standard; F2173-0575; 117932-92-0]

InChI Key

NTYJJOPFIAHURM-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)

IUPAC Name

2-(1H-imidazol-5-yl)ethanamine

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

17 17 0 0 0 0 0 0 0 0999 V2000
1.6291 -0.5759 0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6965 -0.1941 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1710 0.865...

Download SDF File (1488 bytes)

Experimental Data

Activity Data

Target Ion Channel

Potassium voltage-gated channel subfamily KQT member 2/E member 1

Uniprot Accession Number

O43526/P15382

Function

Agonist

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 700 nM

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−40 mV mV

Temperature

36 ± 1 °C

Test Method

Patch-clamping

Test Species

Guinea pig

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1038/sj.bjp.0702918

URL

N/A (Not available)

PMID

10602335

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

-0.0891

Complexity

31.3461

TPSA (Å²)

54.7

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties