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122955-42-4

122955-42-4 Structure

122955-42-4 Structure
IdentificationBack Directory
[Name]

10,10-BIS(4-PYRIDINYLMETHYL)-9(10H)-ANTHRACENONE DIHYDROCHLORIDE
[CAS]

122955-42-4
[Synonyms]

XE 991
XE9912HCl
XE 991 DIHYDROCHLORIDE
9(10H)-Anthracenone, 10,10-bis(4-pyridinylmethyl)-
10-bis(4-Pyridinylmethyl)-9(10H)-anthracenone dihydrochloride
10,10-BIS(4-PYRIDINYLMETHYL)-9(10H)-ANTHRACENONE DIHYDROCHLORIDE
[Molecular Formula]

C26H20N2O
[MDL Number]

MFCD05662331
[MOL File]

122955-42-4.mol
[Molecular Weight]

376.45
Chemical PropertiesBack Directory
[Melting point ]

231-232 °C
[Boiling point ]

585.0±38.0 °C(Predicted)
[density ]

1.238±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: >20mg/mL
[form ]

solid
[pka]

6.08±0.10(Predicted)
[color ]

white to beige
[Water Solubility ]

Soluble in water (100mM)
[InChI]

1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2
[InChIKey]

KHJFBUUFMUBONL-UHFFFAOYSA-N
[SMILES]

O=C1c2ccccc2C(Cc3ccncc3)(Cc4ccncc4)c5ccccc15
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[RTECS ]

CB1530000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

XE-991 has been used as a KCNQ (Kv7.2/7.3) inhibitor to examine whether M-current inhibition affects oxytocin receptor (TGOT) mediated depolarization. It has also been used as an KCNQ inhibitor to study the ionic mechanism responsible for the overshoot/undershoot in membrane potential in mouse cholinergic interneurons (ChIs) in the presence of tetrodotoxin (TTX).
[Biological Activity]

Potent and selective blocker of KCNQ voltage-gated potassium channels. Blocks KCNQ2+3/M-currents (IC 50 = 0.6-0.98 μ M) and KCNQ1 homomeric channels (IC 50 = 0.75 μ M) but is less potent against KCNQ1/minK channels (IC 50 = 11.1 μ M). Augments hippocampal ACh release and is a cognitive enhancer following oral administration in vivo .
[Biochem/physiol Actions]

XE-991 is a KCNQ channel blocker; which is more potent than linopiridine (Cat. No. L-134).
[storage]

Room temperature (desiccate)
Spectrum DetailBack Directory
[Spectrum Detail]

10,10-BIS(4-PYRIDINYLMETHYL)-9(10H)-ANTHRACENONE DIHYDROCHLORIDE(122955-42-4)1HNMR
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