GI 530159

Product Information

Molecular Formula:
C27H20F6N2O2
Molecular Weight:
518.45
Description
GI 530159 is a TREK1 and TREK2 channel activator exhibiting selectivity for TREK1/2 over TRAAK, TASK3 and a range of other potassium channels.
Synonyms
4,4'-[[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis[benzenamine]; 4,4'-(Hexafluoroisopropylidene)bis(p-phenyleneoxy)dianiline
IUPAC Name
4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline
Canonical 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
InChI Key
HHLMWQDRYZAENA-UHFFFAOYSA-N
Boiling Point
544.8±50.0 °C (Predicted)
Melting Point
159-163 °C (lit.)
Purity
≥ 99 % by HPLC
Density
1.3455 (estimate) g/cm3
Solubility
DMSO : 51.84 mg/mL; Ehanol : 25.92 mg/mL
Appearance
Solid powder
LogP
9.00870

Safety Information

Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
7.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
6
Exact Mass
518.14289686 g/mol
Monoisotopic Mass
518.14289686 g/mol
Topological Polar Surface Area
70.5Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
641
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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Literatures

PMID Publication Date Title Journal
29150838 2018-06-01 GI-530159, a novel, selective, mechanosensitive two-pore-domain potassium (K2P ) channel opener, reduces rat dorsal root ganglion neuron excitability British journal of pharmacology
22072913 2011-01-01 Comparative kinetic study and microwaves non-thermal effects on the formation of poly(amic acid) 4,4'-(hexafluoroisopropylidene)diphthalic anhydride (6FDA) and 4,4'-(hexafluoroisopropylidene)bis(p-phenyleneoxy)dianiline (BAPHF). Reaction activated by microwave, ultrasound and conventional heating International journal of molecular sciences
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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