DICL_CP_0307294 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0307294

PubChem CID

9237

Molecular Formula

C₆H₁₂N₂

Molecular Weight

112.176 g/mol

Synonyms/Alias

[1;4-Diazabicyclo[2.2.2]octane; Triethylenediamine; 280-57-9; Dabco; 1;4-DIAZABICYCLO(2.2.2)OCTANE; 1;4-Ethylenepiperazine; Dabco 33LV; Dabco crystal; TEDA; Texacat TD 100; Dabco S-25; N;N-endo-Ethyle...[1;4-Diazabicyclo[2.2.2]octane; Triethylenediamine; 280-57-9; Dabco; 1;4-DIAZABICYCLO(2.2.2)OCTANE; 1;4-Ethylenepiperazine; Dabco 33LV; Dabco crystal; TEDA; Texacat TD 100; Dabco S-25; N;N-endo-Ethylenepiperazine; D 33LV; Dabco R-8020; 1;4-diazabicyclo[2;2;2]octane; 1;4-Diaza[2.2.2]bicyclooctane; 1;4-Diazobicyclo(2.2.2)octane; 1;4-diaza-bicyclo[2.2.2]octane; Triethylene diamine; NSC 56362; TED; MFCD00006689; 1;4-Diazabicyclo [2.2.2] octane; 1;4-diazabicyclo[2.2.2]octane (dabco); X8M57R0JS5; DTXSID0022016; 1;4-Diazobicyclo[2.2.2]octane; Bicyclo[2.2.2]-1;4-diazaoctane; NSC-56362; 1;4-DIAZABICYCLO-(2;2;2)-OCTANE; 1;4-Diazabicyclo-octane; Dabco EG; DTXCID902016; Thancat TD 33; Bicyclo(2;2;2)-1;4-diazaoctane; 1;4-diazabicyclo(2;2;2)octane; 1;4-diazobicyclo(2;2;2)octane; 1;4-diazobicyclo[2;2;2]octane; 1;4-diazabicyclo (2.2.2)octane; 1;4-diazabicyclo [2.2.2]octane; 1;4-diazabicyclo(2.2.2) octane; 1;4-diazabicyclo(2.2.2)-octane; 1;4-diazabicyclo[2.2.2] octane; 1;4-diazabicyclo[2.2.2]-octane; 1;4-diazabicyclo (2.2.2) octane; 1;4-diazabicyclo-[2;2;2]-octane; Dabco crystalline; Triethylene-diamine; Tegoamin 33; CAS-280-57-9; CCRIS 6692; HSDB 5556; EINECS 205-999-9; UNII-X8M57R0JS5; AI3-24809; Texacat TD-33; Bicyclo[2.2.2]octane; 1;4-diaza-; 1;4-DIAZABICYCLO-[2.2.2]OCTANE; EC 205-999-9; TEDA-L33; SCHEMBL14938; DABCO(R) 33-LV; TRIETHYLENEDIAMINE [MI]; GTPL2577; SCHEMBL7266053; CHEMBL3183414; 1;4diazabicyclo[2;2;2]octane; TRIETHYLENEDIAMINE [HSDB]; 1.4-diazabicyclo[2.2.2]octan; 1;4-Diazabicylo[2.2.2]octane; CHEBI:151129; 1;4 diazabicyclo[2;2;2]octane; 1;4-diazabicyclo-2;2;2-octane; 1;4-diazabicyclo[2;2;21octane; 1;4-diazabicyclo[2.2.21octane; 1;4-Diazabicylco[2;2;2]octane; 1;4- diazabicyclo(2;2;2)octane; 1;4-di azabicyclo[2.2.2]octane; 1;4-diaza bicyclo[2;2;2]octane; 1;4-diaza bicyclo[2.2.2]octane; 1;4-diazabicyclo (2;2;2)octane; 1;4-diazabicyclo-[2;2;2]octane; 1;4-diazabicyclo[2;2;2]-octane; AMY25627; HY-Y0566; NSC56362; Tox21_201323; Tox21_302908; 1;4-diazabicyclo (2;2;2) octane; 1;4-diazabicyclo-[2.2.2]-octane; STL185594; 1;4-diaza bicyclo-[2;2.2]-octane; 1;4-diaza-bicyclo-[2;2;2]-octane; AKOS000119052; CS-W020025; 1;4-Diazabicyclo(2.2.2)octane 97%; NCGC00249025-01; NCGC00256609-01; NCGC00258875-01; 88935-43-7; BP-13441; PS-11951; D0134; NS00001624; EN300-18991; D70975; Q423673; Q-201875; F1908-0059; 1;4-Diazabicyclo[2.2.2]octane; ReagentPlus(R); >=99%; 1;4-Diazabicyclo[2.2.2]octane; Vetec(TM) reagent grade; 98%; InChI=1/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H]

InChI Key

IMNIMPAHZVJRPE-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2

IUPAC Name

1,4-diazabicyclo[2.2.2]octane

CAS Number

280-57-9

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

20 21 0 0 0 0 0 0 0 0999 V2000
-0.0970 -0.7949 1.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1516 0.0797 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0363 0.725...

Download SDF File (1750 bytes)

Experimental Data

Activity Data

Target Ion Channel

Voltage-gated potassium channel subfamily B member 1

Uniprot Accession Number

Q14721

Function

Blocker

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 186000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−80 mV mV

Temperature

22–25 °C

Test Method

Patch-clamping

Test Species

Xenopus laevis oocyte

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1124/mol.105.018663

URL

N/A (Not available)

PMID

16317109

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

-0.3824

Complexity

32.88

TPSA (Å²)

6.48

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