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XE991

CAT: 0804-HY-108577A-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108577A-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XE 991, a Kv7 (KCNQ) channels blocker, potently inhibits Kv7.1 (KCNQ1), Kv7.2 (KCNQ2), Kv7.2 + Kv7.3 (KCNQ3) channel, and M-current with IC50s of 0.75 μM, 0.71 μM, 0.6 μM, and 0.98 μM, respectively[1].
CAS Number
122955-42-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Potassium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/xe991.html
Purity
99.69
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C2=C(C=CC=C2)C(CC3=CC=NC=C3)(CC4=CC=NC=C4)C5=CC=CC=C15
Molecular Formula
C26H20N2O
Molecular Weight
376.45
Precautions
H302, H315, H319, H335
References & Citations
[1]Wang HS, et al. KCNQ2 and KCNQ3 potassium channel subunits: molecular correlates of the M-channel. Science. 1998 Dec 4;282 (5395) :1890-3.|[2]Zaczek R, et al. Two new potent neurotransmitter release enhancers, 10,10-bis (4-pyridinylmethyl) -9 (10H) -anthracenone and 10,10-bis (2-fluoro-4-pyridinylmethyl) -9 (10H) -anthracenone: comparison to linopirdine. J Pharmacol Exp Ther. 1998 May;285 (2) :724-30.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone

XE991 is a member of anthracenes.

CAS Number122955-42-4
PubChem CID656732
IUPAC Name10,10-bis(pyridin-4-ylmethyl)anthracen-9-one
Molecular FormulaC26H20N2O
Molecular Weight376.4
XLogP4.9
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity515
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC=NC=C4)CC5=CC=NC=C5
InChI
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
Chemical Structure
2D Structure
2D structure of 10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone
CAS: 122955-42-4
CID: 656732
Formula: C26H20N2O
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass376.157563266
Monoisotopic Mass376.157563266
Topological Polar Surface Area42.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity515
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

Alternative Products

CatalogName
MBS5820235XE991
C09001-25mgXE991 dihydrochloride
532978XE991 HCl

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