Molecular Details
DICL_CP_0314432
- 2-diphenylboranyloxyethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314432
PubChem CID
Molecular Formula
C14H16BNO Molecular Weight
225.1 g/mol
Synonyms/Alias
[2-Aminoethyl diphenylborinate; 524-95-8; 2-APB; 2-Aminoethoxydiphenylborane; (2-Aminoethoxy)diphenylborane; 2-((Diphenylboryl)oxy)ethanamine; 2-Aminoethoxydiphenylborate; 2-aminoethoxydiphenyl borate...
InChI Key
BLZVCIGGICSWIG-UHFFFAOYSA-N
InChI
InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
IUPAC Name
2-diphenylboranyloxyethanamine
CAS Number
524-95-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
33 34 0 0 0 0 0 0 0 0999 V2000
-0.0627 0.1087 -0.4515 B 0 0 0 0 0 0 0 0 0 0 0 0
-0.9331 -1.2033 -0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8251 -1.360...
Experimental Data
Activity Data
Target Ion Channel
Ryanodine receptor 1
Uniprot Accession Number
Function
Agonist
Species
Oryctolagus cuniculus (Rabbit)
IC50
N/A (Not available)
EC50
EC50: >100000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
5
logP
0.7676
Complexity
72.9124
TPSA (Ų)
35.25
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2