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XE991 dihydrochloride

CAT: 0804-HY-108577-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108577-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XE991 dihydrochloride, 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
122955-13-9
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-dihydrochloride.html
Concentration
10mM
Purity
99.63
Solubility
DMSO : 7.14 mg/mL (ultrasonic) |H2O : 11.11 mg/mL (ultrasonic)
Smiles
O=C1C2=C(C=CC=C2)C(CC3=CC=NC=C3)(CC4=CC=NC=C4)C5=CC=CC=C15.Cl.Cl
Molecular Formula
C26H22Cl2N2O
Molecular Weight
449.37
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.|[3]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. PMID: 9580619.. . .
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

XE 991 dihydrochloride
CAS Number122955-13-9
PubChem CID45073462
IUPAC Name10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride
Molecular FormulaC26H22Cl2N2O
Molecular Weight449.4
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity515
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC=NC=C4)CC5=CC=NC=C5.Cl.Cl
InChI
InChI=1S/C26H20N2O.2ClH/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;2*1H
InChIKey
WOGWMARIFDNZON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of XE 991 dihydrochloride
CAS: 122955-13-9
CID: 45073462
Formula: C26H22Cl2N2O
MW: 449.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass448.1109187
Monoisotopic Mass448.1109187
Topological Polar Surface Area42.9 Ų
Heavy Atom Count31
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 Count3
Compound Is CanonicalizedYes

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