Molecular Details
DICL_CP_0369795
- sodium;1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-2-sulfonate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0369795
PubChem CID
Molecular Formula
C19H17NaO6S Molecular Weight
396.396 g/mol
Synonyms/Alias
[69659-80-9; sodium 1;6;6-trimethyl-10;11-dioxo-6;7;8;9;10;11-hexahydrophenanthro[1;2-b]furan-2-sulfonate; Tanshi II A sodium sulfonate; TANSHI IIA SULFONATE SODIUM; sodium tanshi IIA sulfonate; Tansh...
InChI Key
AZEZEAABTDXEHR-UHFFFAOYSA-M
InChI
InChI=1S/C19H18O6S.Na/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)...
IUPAC Name
sodium;1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-2-sulfonate
CAS Number
69659-80-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
44 46 0 0 0 0 0 0 0 0999 V2000
5.6734 -0.2051 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3768 0.0603 0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1845 0.447...
Experimental Data
Activity Data
Target Ion Channel
large conductance calcium activated potassium channels (KCa1.1)
Uniprot Accession Number
Function
Activator
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 111500 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 to 40 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
27
Rotatable Bonds
1
logP
0.156
Complexity
91.4692
TPSA (Ų)
104.48
H-Bond Donors
0
H-Bond Acceptors
6
Ring Count
4