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KSK94

CAT: 0013-GTR19219021-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219021-01Size:1 mg
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Description
KSK94 is a potent and selective histamine H3 receptor antagonist (Ki = 7.9 nM) with additional affinity for sigma-2 receptors. This pharmacological profile makes it a useful research tool for investigating mechanisms and potential treatments for neuropathic and inflammatory pain in both in vitro and in vivo models.
CAS Number
2566716-07-0
Product Name Alternative
H3 receptor, Histamine Receptor, HistamineReceptor
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
99.56% (May vary between batches)
Smiles
N#CC=1C=CC (=CC1) C2=CC=C (OCCCN3CCN (C=4C=CN=CC4) CC3) C=C2
Molecular Formula
C25H26N4O
Molecular Weight
398.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[4-[3-(4-Pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
CAS Number2566716-07-0
PubChem CID162645254
IUPAC Name4-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
Molecular FormulaC25H26N4O
Molecular Weight398.5
XLogP4.2
Topological Polar Surface Area52.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity531
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C4=CC=NC=C4
InChI
InChI=1S/C25H26N4O/c26-20-21-2-4-22(5-3-21)23-6-8-25(9-7-23)30-19-1-14-28-15-17-29(18-16-28)24-10-12-27-13-11-24/h2-13H,1,14-19H2
InChIKey
MROYQSNDBHFVIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[3-(4-Pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
CAS: 2566716-07-0
CID: 162645254
Formula: C25H26N4O
MW: 398.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass398.21066147
Monoisotopic Mass398.21066147
Topological Polar Surface Area52.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity531
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
BUP01274-01KSK94
T79500L-01KSK94 FA

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