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GI-530159

CAT: 0931-T37296-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T37296-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69563-88-8
Target
Others, Potassium Channel
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
TREK1 and TREK2 channel activator (EC50 = 0.76 μM in Rb efflux assay in TREK1-expressing CHO cells) . Exhibits selectivity for TREK1/2 over TRAAK, TASK3 and a range of other potassium channels. Hyperpolarizes membrane potential of dorsal root ganglion neurons and depresses neuronal activity in vitro.
Smiles
Nc1ccc(Oc2ccc(cc2)C(c2ccc(Oc3ccc(N)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
Molecular Formula
C27H20F6N2O2
Molecular Weight
518.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
CAS Number69563-88-8
PubChem CID94652
IUPAC Name4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline
Molecular FormulaC27H20F6N2O2
Molecular Weight518.4
XLogP7.6
Topological Polar Surface Area70.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity641
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)OC3=CC=C(C=C3)N)(C(F)(F)F)C(F)(F)F)OC4=CC=C(C=C4)N
InChI
InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2
InChIKey
HHLMWQDRYZAENA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
CAS: 69563-88-8
CID: 94652
Formula: C27H20F6N2O2
MW: 518.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.4
XLogP37.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass518.14289686
Monoisotopic Mass518.14289686
Topological Polar Surface Area70.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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