Molecular Details
DICL_CP_0328523
- trimethyl-[[(2R,5R)-2-methyl-1,3-oxathiolan-5-yl]methyl]azanium;iodide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0328523
PubChem CID
Molecular Formula
C8H18INOS Molecular Weight
303.209 g/mol
Synonyms/Alias
[OXA-22 iodide; OXA-22; cis-2-Methyl-5-trimethylammoniummethyl-1;3-oxathiolane iodide; CHEMBL289753; LP00371; NCGC00093805-01; C-011; EU-0100371; SR-01000075311; SR-01000075311-1; trimethyl-[[(2R;5R)-...
InChI Key
TWNAKQKXXMGYQT-SCLLHFNJSA-M
InChI
InChI=1S/C8H18NOS.HI/c1-7-10-8(6-11-7)5-9(2,3)4;/h7-8H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-;/m1./s1
IUPAC Name
trimethyl-[[(2R,5R)-2-methyl-1,3-oxathiolan-5-yl]methyl]azanium;iodide
CAS Number
58326-95-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 29 0 0 0 0 0 0 0 0999 V2000
4.2946 -0.0994 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9075 -0.1707 -0.8577 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9799 0.463...
Experimental Data
Activity Data
Target Ion Channel
Two-pore domain potassium channel subfamily K member 18
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
IC50: 60 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.35
Holding Potential
−80 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 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
2
logP
-1.8254
Complexity
49.6924
TPSA (Ų)
9.23
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
1