Molecular Details
DICL_CP_0309387
- 2-[4-(diaminomethylideneamino)butyl]guanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309387
PubChem CID
Molecular Formula
C6H16N6 Molecular Weight
172.236 g/mol
Synonyms/Alias
[arcaine; 1;4-Diguanidinobutane; Tetramethylenediguanide; 544-05-8; N;N-1;4-Butanediylbisguanidine; 2-[4-(diaminomethylideneamino)butyl]guanidine; 1;1-(butane-1;4-diyl)diguanidine; 1-(4-guanidinobutyl...
InChI Key
HGMDNMBBCKDWTQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
IUPAC Name
2-[4-(diaminomethylideneamino)butyl]guanidine
CAS Number
58-32-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 27 0 0 0 0 0 0 0 0999 V2000
-0.6978 -1.0575 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5219 -0.9440 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8237 -1.166...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
pEC50: 3.5
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−60 mV mV
Temperature
23 ± 2 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
5
logP
-1.6866
Complexity
50.5876
TPSA (Ų)
128.8
H-Bond Donors
4
H-Bond Acceptors
2
Ring Count
0